3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol

C16H22N4O — CID 106138447

IUPAC3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCNc1nc(NCC2CCCC(O)C2)c2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-17-16-19-14-8-3-2-7-13(14)15(20-16)18-10-11-5-4-6-12(21)9-11/h2-3,7-8,11-12,21H,4-6,9-10H2,1H3,(H2,17,18,19,20)
InChIKeyHLMKELIHPHEVGD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.63
Rot. Bonds4

About 3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol

3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol (PubChem CID 106138447) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol
PubChem CID106138447
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol
SMILESCNc1nc(NCC2CCCC(O)C2)c2ccccc2n1
InChIInChI=1S/C16H22N4O/c1-17-16-19-14-8-3-2-7-13(14)15(20-16)18-10-11-5-4-6-12(21)9-11/h2-3,7-8,11-12,21H,4-6,9-10H2,1H3,(H2,17,18,19,20)
InChIKeyHLMKELIHPHEVGD-UHFFFAOYSA-N
XLogP2.63
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719
2-N-methyl-4-N-[(2-methylcyclohexyl)methyl]quinazoline-2,4-diamine
CID 80791505
3-[(1,2,4-benzotriazin-3-ylamino)methyl]cyclohexan-1-ol
CID 106129278
4-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80775529
4-N-(cyclopropylmethyl)-2-N-ethylquinazoline-2,4-diamine
CID 80770778
3-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137981
4-N-cyclobutyl-2-N-methylquinazoline-2,4-diamine
CID 80826223
4-[[2-(methylamino)quinazolin-4-yl]amino]cyclohexan-1-ol
CID 80770402
2-chloro-N-(cyclobutylmethyl)quinazolin-4-amine
CID 62477691
2,2-dimethyl-3-[[2-(methylamino)quinazolin-4-yl]amino]cyclobutan-1-ol
CID 114632932
3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 106138420
3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138786

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol (CID 106138447) is 3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol is CNc1nc(NCC2CCCC(O)C2)c2ccccc2n1.
What is the InChIKey of 3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol?
The InChIKey is HLMKELIHPHEVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-17-16-19-14-8-3-2-7-13(14)15(20-16)18-10-11-5-4-6-12(21)9-11/h2-3,7-8,11-12,21H,4-6,9-10H2,1H3,(H2,17,18,19,20).
What are the key properties of 3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol?
3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol has a molecular weight of 286.38 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106138447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).