6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine

C14H23ClN4 — CID 82459511

IUPAC6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCC(C)Cc1nc(Cl)c(N)c(NC2CCCCC2)n1
InChIInChI=1S/C14H23ClN4/c1-9(2)8-11-18-13(15)12(16)14(19-11)17-10-6-4-3-5-7-10/h9-10H,3-8,16H2,1-2H3,(H,17,18,19)
InChIKeyGPNNMHNXYARKGW-UHFFFAOYSA-N
MW282.82 g/mol
LogP3.66
Rot. Bonds4

About 6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine

6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine (PubChem CID 82459511) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
PubChem CID82459511
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCC(C)Cc1nc(Cl)c(N)c(NC2CCCCC2)n1
InChIInChI=1S/C14H23ClN4/c1-9(2)8-11-18-13(15)12(16)14(19-11)17-10-6-4-3-5-7-10/h9-10H,3-8,16H2,1-2H3,(H,17,18,19)
InChIKeyGPNNMHNXYARKGW-UHFFFAOYSA-N
XLogP3.66
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-N-cyclopentyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459498
6-chloro-4-N-cyclopropyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459485
4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458313
4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458201
6-chloro-4-N-cyclohexyl-2-(trifluoromethyl)pyrimidine-4,5-diamine
CID 138684457
4-N-cyclohexyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455531
6-chloro-4-N-cyclohexyl-2-(oxolan-2-yl)pyrimidine-4,5-diamine
CID 82459549
6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine
CID 80970697
6-butoxy-4-N-cyclohexyl-2-ethylpyrimidine-4,5-diamine
CID 82455770
4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine
CID 82455919
6-N-cycloheptyl-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135719
4-N-cyclopentyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455194

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine (CID 82459511) is 6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine is CC(C)Cc1nc(Cl)c(N)c(NC2CCCCC2)n1.
What is the InChIKey of 6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The InChIKey is GPNNMHNXYARKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN4/c1-9(2)8-11-18-13(15)12(16)14(19-11)17-10-6-4-3-5-7-10/h9-10H,3-8,16H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine?
6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine has a molecular weight of 282.82 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82459511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).