2-amino-N-[8-[(2R)-2-hydroxy-3-[[(1R)-1-phenylethyl]amino]propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide

C27H30N8O4 — CID 136506131

About 2-amino-N-[8-[(2R)-2-hydroxy-3-[[(1R)-1-phenylethyl]amino]propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide

2-amino-N-[8-[(2R)-2-hydroxy-3-[[(1R)-1-phenylethyl]amino]propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide (PubChem CID 136506131) has the molecular formula C27H30N8O4 and a molecular weight of 530.59 g/mol. Its IUPAC name is 2-amino-N-[8-[(2R)-2-hydroxy-3-[[(1R)-1-phenylethyl]amino]propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[8-[(2R)-2-hydroxy-3-[[(1R)-1-phenylethyl]amino]propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide
• PubChem CID: 136506131
• Molecular Formula: C27H30N8O4
• Molecular Weight: 530.59 g/mol
• Exact Mass: 530.24
• IUPAC Name: 2-amino-N-[8-[(2R)-2-hydroxy-3-[[(1R)-1-phenylethyl]amino]propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide
• SMILES: COc1c(OC[C@H](O)CN[C@H](C)c2ccccc2)ccc2c3n(/c(=N/C(=O)c4cnc(N)nc4)nc12)CCN3
• InChI: InChI=1S/C27H30N8O4/c1-16(17-6-4-3-5-7-17)30-14-19(36)15-39-21-9-8-20-22(23(21)38-2)33-27(35-11-10-29-24(20)35)34-25(37)18-12-31-26(28)32-13-18/h3-9,12-13,16,19,29-30,36H,10-11,14-15H2,1-2H3,(H2,28,31,32)/b34-27+/t16-,19-/m1/s1
• InChIKey: XYTNQHZMBQYVIL-KMYMCPTNSA-N
• XLogP: 1.67
• TPSA: 161.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.59
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[8-[(2R)-2-hydroxy-3-[[(1R)-1-phenylethyl]amino]propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide?

The IUPAC name of 2-amino-N-[8-[(2R)-2-hydroxy-3-[[(1R)-1-phenylethyl]amino]propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide (CID 136506131) is 2-amino-N-[8-[(2R)-2-hydroxy-3-[[(1R)-1-phenylethyl]amino]propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide.

What is the SMILES notation for 2-amino-N-[8-[(2R)-2-hydroxy-3-[[(1R)-1-phenylethyl]amino]propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide?

The canonical SMILES for 2-amino-N-[8-[(2R)-2-hydroxy-3-[[(1R)-1-phenylethyl]amino]propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide is COc1c(OC[C@H](O)CN[C@H](C)c2ccccc2)ccc2c3n(/c(=N/C(=O)c4cnc(N)nc4)nc12)CCN3.

What is the InChIKey of 2-amino-N-[8-[(2R)-2-hydroxy-3-[[(1R)-1-phenylethyl]amino]propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide?

The InChIKey is XYTNQHZMBQYVIL-KMYMCPTNSA-N. The full InChI is InChI=1S/C27H30N8O4/c1-16(17-6-4-3-5-7-17)30-14-19(36)15-39-21-9-8-20-22(23(21)38-2)33-27(35-11-10-29-24(20)35)34-25(37)18-12-31-26(28)32-13-18/h3-9,12-13,16,19,29-30,36H,10-11,14-15H2,1-2H3,(H2,28,31,32)/b34-27+/t16-,19-/m1/s1.

What are the key properties of 2-amino-N-[8-[(2R)-2-hydroxy-3-[[(1R)-1-phenylethyl]amino]propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide?

2-amino-N-[8-[(2R)-2-hydroxy-3-[[(1R)-1-phenylethyl]amino]propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide has a molecular weight of 530.59 g/mol, XLogP of 1.67, 9 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[8-[(2R)-2-hydroxy-3-[[(1R)-1-phenylethyl]amino]propoxy]-7-methoxy-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide is sourced from PubChem (CID 136506131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).