1-[(5S)-7,7-dimethyl-5-(pyrazin-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol

C19H26N6O — CID 97117420

About 1-[(5S)-7,7-dimethyl-5-(pyrazin-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol

1-[(5S)-7,7-dimethyl-5-(pyrazin-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol (PubChem CID 97117420) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-[(5S)-7,7-dimethyl-5-(pyrazin-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol.

Molecular Properties

• Compound Name: 1-[(5S)-7,7-dimethyl-5-(pyrazin-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
• PubChem CID: 97117420
• Molecular Formula: C19H26N6O
• Molecular Weight: 354.46 g/mol
• Exact Mass: 354.22
• IUPAC Name: 1-[(5S)-7,7-dimethyl-5-(pyrazin-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol
• SMILES: CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@@H](Nc2cnccn2)C1
• InChI: InChI=1S/C19H26N6O/c1-19(2)9-15(23-17-12-20-5-6-21-17)14-11-22-18(24-16(14)10-19)25-7-3-13(26)4-8-25/h5-6,11-13,15,26H,3-4,7-10H2,1-2H3,(H,21,23)/t15-/m0/s1
• InChIKey: URQPLWYABBRYMZ-HNNXBMFYSA-N
• XLogP: 2.35
• TPSA: 87.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.46
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-7,7-dimethyl-5-(pyrazin-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?

The IUPAC name of 1-[(5S)-7,7-dimethyl-5-(pyrazin-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol (CID 97117420) is 1-[(5S)-7,7-dimethyl-5-(pyrazin-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol.

What is the SMILES notation for 1-[(5S)-7,7-dimethyl-5-(pyrazin-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?

The canonical SMILES for 1-[(5S)-7,7-dimethyl-5-(pyrazin-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol is CC1(C)Cc2nc(N3CCC(O)CC3)ncc2[C@@H](Nc2cnccn2)C1.

What is the InChIKey of 1-[(5S)-7,7-dimethyl-5-(pyrazin-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?

The InChIKey is URQPLWYABBRYMZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-19(2)9-15(23-17-12-20-5-6-21-17)14-11-22-18(24-16(14)10-19)25-7-3-13(26)4-8-25/h5-6,11-13,15,26H,3-4,7-10H2,1-2H3,(H,21,23)/t15-/m0/s1.

What are the key properties of 1-[(5S)-7,7-dimethyl-5-(pyrazin-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol?

1-[(5S)-7,7-dimethyl-5-(pyrazin-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol has a molecular weight of 354.46 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5S)-7,7-dimethyl-5-(pyrazin-2-ylamino)-6,8-dihydro-5H-quinazolin-2-yl]piperidin-4-ol is sourced from PubChem (CID 97117420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).