[1-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol

C20H30N6O — CID 45216602

IUPAC[1-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
SMILESCc1c(CNC2CCCc3nc(N4CCC(CO)CC4)ncc32)cnn1C
InChIInChI=1S/C20H30N6O/c1-14-16(11-23-25(14)2)10-21-18-4-3-5-19-17(18)12-22-20(24-19)26-8-6-15(13-27)7-9-26/h11-12,15,18,21,27H,3-10,13H2,1-2H3
InChIKeyCOZQSGSCYJLMJI-UHFFFAOYSA-N
MW370.50 g/mol
LogP1.89
Rot. Bonds5

About [1-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol

[1-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol (PubChem CID 45216602) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is [1-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
PubChem CID45216602
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name[1-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
SMILESCc1c(CNC2CCCc3nc(N4CCC(CO)CC4)ncc32)cnn1C
InChIInChI=1S/C20H30N6O/c1-14-16(11-23-25(14)2)10-21-18-4-3-5-19-17(18)12-22-20(24-19)26-8-6-15(13-27)7-9-26/h11-12,15,18,21,27H,3-10,13H2,1-2H3
InChIKeyCOZQSGSCYJLMJI-UHFFFAOYSA-N
XLogP1.89
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol (CID 45216602) is [1-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol is Cc1c(CNC2CCCc3nc(N4CCC(CO)CC4)ncc32)cnn1C.
What is the InChIKey of [1-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The InChIKey is COZQSGSCYJLMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-14-16(11-23-25(14)2)10-21-18-4-3-5-19-17(18)12-22-20(24-19)26-8-6-15(13-27)7-9-26/h11-12,15,18,21,27H,3-10,13H2,1-2H3.
What are the key properties of [1-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
[1-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol has a molecular weight of 370.50 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 45216602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).