6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine

C19H25ClN4O — CID 112876038

IUPAC6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
SMILESCOc1ccc(Cl)cc1Nc1cc(NC2CCCCCC2)nc(C)n1
InChIInChI=1S/C19H25ClN4O/c1-13-21-18(23-15-7-5-3-4-6-8-15)12-19(22-13)24-16-11-14(20)9-10-17(16)25-2/h9-12,15H,3-8H2,1-2H3,(H2,21,22,23,24)
InChIKeyGHDXVMVIULZZJM-UHFFFAOYSA-N
MW360.89 g/mol
LogP5.33
Rot. Bonds5

About 6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine

6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine (PubChem CID 112876038) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
PubChem CID112876038
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine
SMILESCOc1ccc(Cl)cc1Nc1cc(NC2CCCCCC2)nc(C)n1
InChIInChI=1S/C19H25ClN4O/c1-13-21-18(23-15-7-5-3-4-6-8-15)12-19(22-13)24-16-11-14(20)9-10-17(16)25-2/h9-12,15H,3-8H2,1-2H3,(H2,21,22,23,24)
InChIKeyGHDXVMVIULZZJM-UHFFFAOYSA-N
XLogP5.33
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine
CID 112869079
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopropyl-2-methylpyrimidine-4,6-diamine
CID 112867563
6-N-(4-chloro-2-methylphenyl)-4-N-cyclohexyl-2-methylpyrimidine-4,6-diamine
CID 112869075
6-N-(5-chloro-2-methoxyphenyl)-4-N-(1,1-dioxothiolan-3-yl)-2-methylpyrimidine-4,6-diamine
CID 112874528
3-N-(5-chloro-2-methoxyphenyl)-5-N-cyclopentyl-1,2,4-triazine-3,5-diamine
CID 112941542
4-N-(5-chloro-2-methoxyphenyl)-6-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 80762755
4-N-(5-chloro-2-methoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876894
4-N-(5-chloro-2-methoxyphenyl)-6-N-(4-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877874
4-N-(5-chloro-2-methoxyphenyl)-2-methyl-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868148
6-N-(5-chloro-2-methoxyphenyl)-4-N-cyclopentylpyrimidine-4,5,6-triamine
CID 22546108
4-N-cyclohexyl-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112869068
N-(5-chloro-2-methoxyphenyl)-2-methyl-6-(4-methylphenyl)pyrimidin-4-amine;hydrochloride
CID 52986012

Frequently Asked Questions

What is the IUPAC name of 6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine (CID 112876038) is 6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine is COc1ccc(Cl)cc1Nc1cc(NC2CCCCCC2)nc(C)n1.
What is the InChIKey of 6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine?
The InChIKey is GHDXVMVIULZZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-13-21-18(23-15-7-5-3-4-6-8-15)12-19(22-13)24-16-11-14(20)9-10-17(16)25-2/h9-12,15H,3-8H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine?
6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine has a molecular weight of 360.89 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(5-chloro-2-methoxyphenyl)-4-N-cycloheptyl-2-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 112876038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).