4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine

C18H24N4O — CID 112899904

IUPAC4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nccc(NC3CCCCCC3)n2)cc1
InChIInChI=1S/C18H24N4O/c1-23-16-10-8-15(9-11-16)21-18-19-13-12-17(22-18)20-14-6-4-2-3-5-7-14/h8-14H,2-7H2,1H3,(H2,19,20,21,22)
InChIKeyNBQJTAWZRCFMLI-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.36
Rot. Bonds5

About 4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine

4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 112899904) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
PubChem CID112899904
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nccc(NC3CCCCCC3)n2)cc1
InChIInChI=1S/C18H24N4O/c1-23-16-10-8-15(9-11-16)21-18-19-13-12-17(22-18)20-14-6-4-2-3-5-7-14/h8-14H,2-7H2,1H3,(H2,19,20,21,22)
InChIKeyNBQJTAWZRCFMLI-UHFFFAOYSA-N
XLogP4.36
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112899906
methyl 4-[[4-(cyclopentylamino)pyrimidin-2-yl]amino]benzoate
CID 112884257
5-N-cycloheptyl-3-N-(4-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112959185
4-N-cyclopentyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112884245
6-chloro-2-N-cyclohexyl-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 88570909
4-N-cyclopropyl-2-N-(2,5-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112882303
ethyl 4-[[4-(cyclopentylamino)pyrimidin-2-yl]amino]benzoate
CID 112884279
N-(4-methoxyphenyl)cyclooctanamine
CID 29275692
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
4-N-cycloheptyl-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895253
4-N-cyclopropyl-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 112882308
4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 112899930

Frequently Asked Questions

What is the IUPAC name of 4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine (CID 112899904) is 4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine is COc1ccc(Nc2nccc(NC3CCCCCC3)n2)cc1.
What is the InChIKey of 4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is NBQJTAWZRCFMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-23-16-10-8-15(9-11-16)21-18-19-13-12-17(22-18)20-14-6-4-2-3-5-7-14/h8-14H,2-7H2,1H3,(H2,19,20,21,22).
What are the key properties of 4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine?
4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 312.42 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112899904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).