2-[methyl-[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol

C16H22N4O — CID 102640101

IUPAC2-[methyl-[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
SMILESCNc1nc(N(C)C2CCCCC2O)c2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-17-16-18-12-8-4-3-7-11(12)15(19-16)20(2)13-9-5-6-10-14(13)21/h3-4,7-8,13-14,21H,5-6,9-10H2,1-2H3,(H,17,18,19)
InChIKeyKSYMXPSOBQFMSU-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.41
Rot. Bonds3

About 2-[methyl-[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol

2-[methyl-[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol (PubChem CID 102640101) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[methyl-[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[methyl-[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
PubChem CID102640101
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[methyl-[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
SMILESCNc1nc(N(C)C2CCCCC2O)c2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-17-16-18-12-8-4-3-7-11(12)15(19-16)20(2)13-9-5-6-10-14(13)21/h3-4,7-8,13-14,21H,5-6,9-10H2,1-2H3,(H,17,18,19)
InChIKeyKSYMXPSOBQFMSU-UHFFFAOYSA-N
XLogP2.41
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,4-N-dimethyl-4-N-(oxolan-3-yl)quinazoline-2,4-diamine
CID 82745198
2-N,4-N-dimethyl-4-N-(thiolan-3-yl)quinazoline-2,4-diamine
CID 80784259
2-N,4-N-dimethyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 80798383
2-N,4-N-dimethyl-4-N-(oxolan-2-ylmethyl)quinazoline-2,4-diamine
CID 80796036
2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol
CID 102633750
2-N,4-N-dimethyl-4-N-propylquinazoline-2,4-diamine
CID 80776135
2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol
CID 102635880
4-cyclopentylsulfanyl-N-methylquinazolin-2-amine
CID 80889929
2-N,4-N-dimethyl-4-N-pentan-3-ylquinazoline-2,4-diamine
CID 80792804
2-[[4-(hydroxymethyl)isoquinolin-1-yl]-methylamino]cyclohexan-1-ol
CID 106768455
trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol
CID 10631575
2-N-methyl-4-N,4-N-dipropylquinazoline-2,4-diamine
CID 80764587

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[methyl-[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol (CID 102640101) is 2-[methyl-[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[methyl-[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[methyl-[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol is CNc1nc(N(C)C2CCCCC2O)c2ccccc2n1.
What is the InChIKey of 2-[methyl-[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is KSYMXPSOBQFMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-17-16-18-12-8-4-3-7-11(12)15(19-16)20(2)13-9-5-6-10-14(13)21/h3-4,7-8,13-14,21H,5-6,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[methyl-[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol?
2-[methyl-[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 286.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 102640101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).