6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine

C17H21ClN4O — CID 88570909

IUPAC6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2cc(Cl)nc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C17H21ClN4O/c1-23-14-9-7-13(8-10-14)19-16-11-15(18)21-17(22-16)20-12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H2,19,20,21,22)
InChIKeyFDPLIABYIRWUHQ-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.63
Rot. Bonds5

About 6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine

6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 88570909) has the molecular formula C17H21ClN4O and a molecular weight of 332.83 g/mol. Its IUPAC name is 6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID88570909
Molecular FormulaC17H21ClN4O
Molecular Weight332.83 g/mol
Exact Mass332.14
IUPAC Name6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2cc(Cl)nc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C17H21ClN4O/c1-23-14-9-7-13(8-10-14)19-16-11-15(18)21-17(22-16)20-12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H2,19,20,21,22)
InChIKeyFDPLIABYIRWUHQ-UHFFFAOYSA-N
XLogP4.63
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112899904
4-N-(4-chlorophenyl)-2-N-cycloheptyl-6-methylpyrimidine-2,4-diamine
CID 112924981
2-N-cyclohexyl-6-N-(4-methoxyphenyl)-4-N-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4,6-triamine
CID 57399457
6-chloro-2-N-(4-methoxyphenyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 88571005
4-N-(3-chloro-4-methoxyphenyl)-2-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 112910612
5-N-cycloheptyl-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959185
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10849619
2-N-cycloheptyl-4-N-(4-methoxyphenyl)pteridine-2,4-diamine
CID 16910827
4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112899906
4-N-(1-benzylpiperidin-4-yl)-6-N-cyclopentyl-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 134107688
2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 129304826

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine (CID 88570909) is 6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine is COc1ccc(Nc2cc(Cl)nc(NC3CCCCC3)n2)cc1.
What is the InChIKey of 6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is FDPLIABYIRWUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-23-14-9-7-13(8-10-14)19-16-11-15(18)21-17(22-16)20-12-5-3-2-4-6-12/h7-12H,2-6H2,1H3,(H2,19,20,21,22).
What are the key properties of 6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 332.83 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 88570909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).