4-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol

C18H24N4O — CID 166329636

IUPAC4-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1cc(NC2CCC(O)CC2)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-13-12-17(20-14-8-10-16(23)11-9-14)21-18(19-13)22(2)15-6-4-3-5-7-15/h3-7,12,14,16,23H,8-11H2,1-2H3,(H,19,20,21)
InChIKeyJESAXCUGYKYXTB-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.27
Rot. Bonds4

About 4-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 166329636) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID166329636
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCc1cc(NC2CCC(O)CC2)nc(N(C)c2ccccc2)n1
InChIInChI=1S/C18H24N4O/c1-13-12-17(20-14-8-10-16(23)11-9-14)21-18(19-13)22(2)15-6-4-3-5-7-15/h3-7,12,14,16,23H,8-11H2,1-2H3,(H,19,20,21)
InChIKeyJESAXCUGYKYXTB-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

Analyze 4-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112909623
4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 43395250
4-N-[3-(dimethylamino)propyl]-2-N,6-dimethyl-2-N-phenylpyrimidine-2,4-diamine
CID 112913498
2-N,6-dimethyl-4-N-pentyl-2-N-phenylpyrimidine-2,4-diamine
CID 112925381
4-N-cyclopropyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112907456
4-N-cyclopropyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 83718542
2-N-benzyl-4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112910397
4-[(2-chloro-6-phenylpyrimidin-4-yl)amino]cyclohexan-1-ol;ethane
CID 143206200
2-chloro-N-cyclopropyl-6-methylpyrimidin-4-amine
CID 53346646
4-N-cyclopentyl-6-methyl-2-N,2-N-dipropylpyrimidine-2,4-diamine
CID 112909680
4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80769558
4-[(3-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)amino]cyclohexan-1-ol
CID 166312574

Frequently Asked Questions

What is the IUPAC name of 4-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 166329636) is 4-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol is Cc1cc(NC2CCC(O)CC2)nc(N(C)c2ccccc2)n1.
What is the InChIKey of 4-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is JESAXCUGYKYXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-12-17(20-14-8-10-16(23)11-9-14)21-18(19-13)22(2)15-6-4-3-5-7-15/h3-7,12,14,16,23H,8-11H2,1-2H3,(H,19,20,21).
What are the key properties of 4-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[6-methyl-2-(N-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-[[6-methyl-2-(N-methylanilino)pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 166329636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).