5-[4-amino-6-[[(1S)-1-(5-chloro-3-cyclopropyl-4-oxoquinazolin-2-yl)propyl]amino]pyrimidin-5-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-3-cyclopropyl-5-(1-methylpyrazol-4-yl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one

C71H71ClN34O4 — CID 161349602

About 5-[4-amino-6-[[(1S)-1-(5-chloro-3-cyclopropyl-4-oxoquinazolin-2-yl)propyl]amino]pyrimidin-5-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-3-cyclopropyl-5-(1-methylpyrazol-4-yl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one

5-[4-amino-6-[[(1S)-1-(5-chloro-3-cyclopropyl-4-oxoquinazolin-2-yl)propyl]amino]pyrimidin-5-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-3-cyclopropyl-5-(1-methylpyrazol-4-yl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one (PubChem CID 161349602) has the molecular formula C71H71ClN34O4 and a molecular weight of 1500.04 g/mol. Its IUPAC name is 5-[4-amino-6-[[(1S)-1-(5-chloro-3-cyclopropyl-4-oxoquinazolin-2-yl)propyl]amino]pyrimidin-5-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-3-cyclopropyl-5-(1-methylpyrazol-4-yl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one.

Molecular Properties

• Compound Name: 5-[4-amino-6-[[(1S)-1-(5-chloro-3-cyclopropyl-4-oxoquinazolin-2-yl)propyl]amino]pyrimidin-5-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-3-cyclopropyl-5-(1-methylpyrazol-4-yl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one
• PubChem CID: 161349602
• Molecular Formula: C71H71ClN34O4
• Molecular Weight: 1500.04 g/mol
• Exact Mass: 1498.61
• IUPAC Name: 5-[4-amino-6-[[(1S)-1-(5-chloro-3-cyclopropyl-4-oxoquinazolin-2-yl)propyl]amino]pyrimidin-5-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-3-cyclopropyl-5-(1-methylpyrazol-4-yl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one
• SMILES: CC[C@H](Nc1ncnc(N)c1-c1nc(C(N)=O)n(C)n1)c1nc2cccc(Cl)c2c(=O)n1C1CC1.C[C@H](Nc1ncnc(N)c1-c1nnn(C)n1)c1nc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ncnc(N)c1-c1nnn(C)n1)c1nc2cccc(-c3cnn(C)c3)c2c(=O)n1C1CC1
• InChI: InChI=1S/C26H24N12O.C23H24N12O.C22H23ClN10O2/c1-15(31-23-21(22(27)28-14-29-23)24-33-35-37(3)34-24)25-32-19-11-7-10-18(16-12-30-36(2)13-16)20(19)26(39)38(25)17-8-5-4-6-9-17;1-12(28-20-18(19(24)25-11-26-20)21-30-32-34(3)31-21)22-29-16-6-4-5-15(13-9-27-33(2)10-13)17(16)23(36)35(22)14-7-8-14;1-3-12(20-29-13-6-4-5-11(23)14(13)22(35)33(20)10-7-8-10)28-18-15(16(24)26-9-27-18)19-30-21(17(25)34)32(2)31-19/h4-15H,1-3H3,(H3,27,28,29,31);4-6,9-12,14H,7-8H2,1-3H3,(H3,24,25,26,28);4-6,9-10,12H,3,7-8H2,1-2H3,(H2,25,34)(H3,24,26,27,28)/t15-;2*12-/m000/s1
• InChIKey: VNTKAFQBOOBJDG-JCODCMJKSA-N
• XLogP: 6.60
• TPSA: 492.80 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 37
• Rotatable Bonds: 19
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1500.04
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-6-[[(1S)-1-(5-chloro-3-cyclopropyl-4-oxoquinazolin-2-yl)propyl]amino]pyrimidin-5-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-3-cyclopropyl-5-(1-methylpyrazol-4-yl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one?

The IUPAC name of 5-[4-amino-6-[[(1S)-1-(5-chloro-3-cyclopropyl-4-oxoquinazolin-2-yl)propyl]amino]pyrimidin-5-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-3-cyclopropyl-5-(1-methylpyrazol-4-yl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one (CID 161349602) is 5-[4-amino-6-[[(1S)-1-(5-chloro-3-cyclopropyl-4-oxoquinazolin-2-yl)propyl]amino]pyrimidin-5-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-3-cyclopropyl-5-(1-methylpyrazol-4-yl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one.

What is the SMILES notation for 5-[4-amino-6-[[(1S)-1-(5-chloro-3-cyclopropyl-4-oxoquinazolin-2-yl)propyl]amino]pyrimidin-5-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-3-cyclopropyl-5-(1-methylpyrazol-4-yl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one?

The canonical SMILES for 5-[4-amino-6-[[(1S)-1-(5-chloro-3-cyclopropyl-4-oxoquinazolin-2-yl)propyl]amino]pyrimidin-5-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-3-cyclopropyl-5-(1-methylpyrazol-4-yl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one is CC[C@H](Nc1ncnc(N)c1-c1nc(C(N)=O)n(C)n1)c1nc2cccc(Cl)c2c(=O)n1C1CC1.C[C@H](Nc1ncnc(N)c1-c1nnn(C)n1)c1nc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1.C[C@H](Nc1ncnc(N)c1-c1nnn(C)n1)c1nc2cccc(-c3cnn(C)c3)c2c(=O)n1C1CC1.

What is the InChIKey of 5-[4-amino-6-[[(1S)-1-(5-chloro-3-cyclopropyl-4-oxoquinazolin-2-yl)propyl]amino]pyrimidin-5-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-3-cyclopropyl-5-(1-methylpyrazol-4-yl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one?

The InChIKey is VNTKAFQBOOBJDG-JCODCMJKSA-N. The full InChI is InChI=1S/C26H24N12O.C23H24N12O.C22H23ClN10O2/c1-15(31-23-21(22(27)28-14-29-23)24-33-35-37(3)34-24)25-32-19-11-7-10-18(16-12-30-36(2)13-16)20(19)26(39)38(25)17-8-5-4-6-9-17;1-12(28-20-18(19(24)25-11-26-20)21-30-32-34(3)31-21)22-29-16-6-4-5-15(13-9-27-33(2)10-13)17(16)23(36)35(22)14-7-8-14;1-3-12(20-29-13-6-4-5-11(23)14(13)22(35)33(20)10-7-8-10)28-18-15(16(24)26-9-27-18)19-30-21(17(25)34)32(2)31-19/h4-15H,1-3H3,(H3,27,28,29,31);4-6,9-12,14H,7-8H2,1-3H3,(H3,24,25,26,28);4-6,9-10,12H,3,7-8H2,1-2H3,(H2,25,34)(H3,24,26,27,28)/t15-;2*12-/m000/s1.

What are the key properties of 5-[4-amino-6-[[(1S)-1-(5-chloro-3-cyclopropyl-4-oxoquinazolin-2-yl)propyl]amino]pyrimidin-5-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-3-cyclopropyl-5-(1-methylpyrazol-4-yl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one?

5-[4-amino-6-[[(1S)-1-(5-chloro-3-cyclopropyl-4-oxoquinazolin-2-yl)propyl]amino]pyrimidin-5-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-3-cyclopropyl-5-(1-methylpyrazol-4-yl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one has a molecular weight of 1500.04 g/mol, XLogP of 6.60, 19 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-amino-6-[[(1S)-1-(5-chloro-3-cyclopropyl-4-oxoquinazolin-2-yl)propyl]amino]pyrimidin-5-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-3-cyclopropyl-5-(1-methylpyrazol-4-yl)quinazolin-4-one;2-[(1S)-1-[[6-amino-5-(2-methyltetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-5-(1-methylpyrazol-4-yl)-3-phenylquinazolin-4-one is sourced from PubChem (CID 161349602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).