5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine

C12H19ClN4 — CID 80847184

IUPAC5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine
SMILESCC1CCCCCC1Nc1nc(N)ncc1Cl
InChIInChI=1S/C12H19ClN4/c1-8-5-3-2-4-6-10(8)16-11-9(13)7-15-12(14)17-11/h7-8,10H,2-6H2,1H3,(H3,14,15,16,17)
InChIKeyIMCYPWFFHXTUGH-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.09
Rot. Bonds2

About 5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine

5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine (PubChem CID 80847184) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine
PubChem CID80847184
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine
SMILESCC1CCCCCC1Nc1nc(N)ncc1Cl
InChIInChI=1S/C12H19ClN4/c1-8-5-3-2-4-6-10(8)16-11-9(13)7-15-12(14)17-11/h7-8,10H,2-6H2,1H3,(H3,14,15,16,17)
InChIKeyIMCYPWFFHXTUGH-UHFFFAOYSA-N
XLogP3.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-methoxy-N-(2-methylcycloheptyl)pyrimidin-4-amine
CID 80758365
5-bromo-2-chloro-N-(2-methylcycloheptyl)pyrimidin-4-amine
CID 79074019
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]cycloheptan-1-ol
CID 113395206
5-chloro-4-N-(2,3-dimethylcyclohexyl)-2-N-methylpyrimidine-2,4-diamine
CID 80777437
3,5-dichloro-N-(2-methylcyclopentyl)pyridin-2-amine
CID 63281875
4-N-(2-methylcyclohexyl)quinazoline-2,4-diamine
CID 80776922
3-[(2-amino-5-chloropyrimidin-4-yl)amino]-2,2-dimethylcyclobutan-1-ol
CID 114632994
3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine
CID 102755687
3-chloro-N-(2-methylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43081784
5-chloro-4-N-(1-ethylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80800762
5-chloro-4-N-(cyclobutylmethyl)pyrimidine-2,4-diamine
CID 80783168
3,5-dichloro-6-N-(2,3-dimethylcyclohexyl)pyridine-2,6-diamine
CID 102755663

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine (CID 80847184) is 5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine is CC1CCCCCC1Nc1nc(N)ncc1Cl.
What is the InChIKey of 5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine?
The InChIKey is IMCYPWFFHXTUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-8-5-3-2-4-6-10(8)16-11-9(13)7-15-12(14)17-11/h7-8,10H,2-6H2,1H3,(H3,14,15,16,17).
What are the key properties of 5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine?
5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine has a molecular weight of 254.76 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-methylcycloheptyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80847184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).