4-[methyl-[6-(3-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol

C18H24N4O — CID 67694404

IUPAC4-[methyl-[6-(3-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1cccc(Nc2cc(N(C)C3CCC(O)CC3)ncn2)c1
InChIInChI=1S/C18H24N4O/c1-13-4-3-5-14(10-13)21-17-11-18(20-12-19-17)22(2)15-6-8-16(23)9-7-15/h3-5,10-12,15-16,23H,6-9H2,1-2H3,(H,19,20,21)
InChIKeyQHTAKPRYXGCITP-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.27
Rot. Bonds4

About 4-[methyl-[6-(3-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[methyl-[6-(3-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 67694404) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-[methyl-[6-(3-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[methyl-[6-(3-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID67694404
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-[methyl-[6-(3-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1cccc(Nc2cc(N(C)C3CCC(O)CC3)ncn2)c1
InChIInChI=1S/C18H24N4O/c1-13-4-3-5-14(10-13)21-17-11-18(20-12-19-17)22(2)15-6-8-16(23)9-7-15/h3-5,10-12,15-16,23H,6-9H2,1-2H3,(H,19,20,21)
InChIKeyQHTAKPRYXGCITP-UHFFFAOYSA-N
XLogP3.27
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80775441
6-(3-azabicyclo[3.2.2]nonan-3-yl)-N-(3-methylphenyl)pyrimidin-4-amine
CID 70344036
4-N-cyclopropyl-6-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80774806
N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109354049
6-(3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355798
6-N-(3-fluorophenyl)-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 122281980
4-amino-N-[4-[[6-[cyclohexyl(methyl)amino]pyrimidin-4-yl]amino]phenyl]benzamide
CID 11154269
4-N-(2-bromophenyl)-6-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 112864909
6-(2,6-dimethylmorpholin-4-yl)-N-(3-methylphenyl)pyrimidin-4-amine
CID 67695006
6-N-[4-[3-(dimethylamino)propoxy]phenyl]-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 67015129
1-[3-[[6-(N-methylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112865016
2-[[6-(3-methylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113195056

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[6-(3-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[methyl-[6-(3-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 67694404) is 4-[methyl-[6-(3-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[methyl-[6-(3-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[methyl-[6-(3-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol is Cc1cccc(Nc2cc(N(C)C3CCC(O)CC3)ncn2)c1.
What is the InChIKey of 4-[methyl-[6-(3-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is QHTAKPRYXGCITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-4-3-5-14(10-13)21-17-11-18(20-12-19-17)22(2)15-6-8-16(23)9-7-15/h3-5,10-12,15-16,23H,6-9H2,1-2H3,(H,19,20,21).
What are the key properties of 4-[methyl-[6-(3-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[methyl-[6-(3-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 312.42 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[6-(3-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 67694404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).