(5S)-7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine

C21H32N6O — CID 42346063

About (5S)-7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine

(5S)-7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine (PubChem CID 42346063) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is (5S)-7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine.

Molecular Properties

• Compound Name: (5S)-7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine
• PubChem CID: 42346063
• Molecular Formula: C21H32N6O
• Molecular Weight: 384.53 g/mol
• Exact Mass: 384.26
• IUPAC Name: (5S)-7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine
• SMILES: CC(C)n1cc(CN[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1
• InChI: InChI=1S/C21H32N6O/c1-15(2)27-14-16(12-24-27)11-22-18-9-21(3,4)10-19-17(18)13-23-20(25-19)26-5-7-28-8-6-26/h12-15,18,22H,5-11H2,1-4H3/t18-/m0/s1
• InChIKey: RGHWFGXLJCUAEN-SFHVURJKSA-N
• XLogP: 2.89
• TPSA: 68.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.53
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5S)-7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?

The IUPAC name of (5S)-7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine (CID 42346063) is (5S)-7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine.

What is the SMILES notation for (5S)-7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?

The canonical SMILES for (5S)-7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine is CC(C)n1cc(CN[C@H]2CC(C)(C)Cc3nc(N4CCOCC4)ncc32)cn1.

What is the InChIKey of (5S)-7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?

The InChIKey is RGHWFGXLJCUAEN-SFHVURJKSA-N. The full InChI is InChI=1S/C21H32N6O/c1-15(2)27-14-16(12-24-27)11-22-18-9-21(3,4)10-19-17(18)13-23-20(25-19)26-5-7-28-8-6-26/h12-15,18,22H,5-11H2,1-4H3/t18-/m0/s1.

What are the key properties of (5S)-7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine?

(5S)-7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine has a molecular weight of 384.53 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-7,7-dimethyl-2-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-6,8-dihydro-5H-quinazolin-5-amine is sourced from PubChem (CID 42346063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).