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

C20H30N6O — CID 42507845

IUPAC[1-[(5S)-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
SMILESCc1c(CN[C@H]2CCCc3nc(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/t18-/m0/s1
InChIKeyCOZQSGSCYJLMJI-SFHVURJKSA-N
MW370.50 g/mol
LogP1.89
Rot. Bonds5

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

[1-[(5S)-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol (PubChem CID 42507845) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is [1-[(5S)-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(5S)-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
PubChem CID42507845
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name[1-[(5S)-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
SMILESCc1c(CN[C@H]2CCCc3nc(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/t18-/m0/s1
InChIKeyCOZQSGSCYJLMJI-SFHVURJKSA-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

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

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Related Compounds

[1-[(5S)-5-(cyclooctylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 25283348
[1-[(5S)-5-[(2-ethylpyrimidin-5-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol
CID 25479898
[1-(5-Amino-5,6,7,8-tetrahydroquinazolin-2-yl)piperidin-4-yl]methanol
CID 70778972
(5S)-5-[[ethyl(methyl)sulfamoyl]amino]-2-[4-(hydroxymethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 97132416
1-[[1-(2-Fluoroethyl)pyrazol-4-yl]methyl]-3-(2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl)urea
CID 138022798
[1-[2-[[[4-(1-Methylpyrazol-4-yl)pyrimidin-2-yl]amino]methyl]phenyl]piperidin-4-yl]methanol
CID 31043777
N-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-7,7-dimethyl-2-(4-morpholinyl)-5,6,7,8-tetrahydro-5-quinazolinamine
CID 45181809
(1-{5-[(1-Isopropyl-4-piperidinyl)amino]-5,6,7,8-tetrahydro-2-quinazolinyl}-4-piperidinyl)methanol
CID 45192726
1-(5-{[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]amino}-7,7-dimethyl-5,6,7,8-tetrahydro-2-quinazolinyl)-4-piperidinol
CID 45194274
7,7-dimethyl-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-2-morpholin-4-yl-6,8-dihydro-5H-quinazolin-5-amine
CID 45195628
{1-[5-(Cyclobutylamino)-5,6,7,8-tetrahydro-2-quinazolinyl]-4-piperidinyl}methanol
CID 45196307
[1-(5-{[(2-Ethyl-5-pyrimidinyl)methyl]amino}-5,6,7,8-tetrahydro-2-quinazolinyl)-4-piperidinyl]methanol
CID 45204656

Frequently Asked Questions

What is the IUPAC name of [1-[(5S)-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(5S)-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol (CID 42507845) is [1-[(5S)-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-[(5S)-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(5S)-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol is Cc1c(CN[C@H]2CCCc3nc(N4CCC(CO)CC4)ncc32)cnn1C.
What is the InChIKey of [1-[(5S)-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
The InChIKey is COZQSGSCYJLMJI-SFHVURJKSA-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/t18-/m0/s1.
What are the key properties of [1-[(5S)-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol?
[1-[(5S)-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-[(5S)-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-5,6,7,8-tetrahydroquinazolin-2-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 42507845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).