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

C10H15ClN4 — CID 106812243

IUPAC5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine
SMILESNc1ncnc(NCCC2CCC2)c1Cl
InChIInChI=1S/C10H15ClN4/c11-8-9(12)14-6-15-10(8)13-5-4-7-2-1-3-7/h6-7H,1-5H2,(H3,12,13,14,15)
InChIKeyNZPBLQKTQCNJFG-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.31
Rot. Bonds4

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

5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine (PubChem CID 106812243) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine
PubChem CID106812243
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine
SMILESNc1ncnc(NCCC2CCC2)c1Cl
InChIInChI=1S/C10H15ClN4/c11-8-9(12)14-6-15-10(8)13-5-4-7-2-1-3-7/h6-7H,1-5H2,(H3,12,13,14,15)
InChIKeyNZPBLQKTQCNJFG-UHFFFAOYSA-N
XLogP2.31
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
CID 106811786
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 114049775
5-chloro-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-4,6-diamine
CID 114049894
4-N-(2-cyclohexylethyl)-5-propylpyrimidine-4,6-diamine
CID 80790459
2-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106812142
5-ethyl-4-N-[2-(3-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 80835454
N-(2-cyclobutylethyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 103748708
5-bromo-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
CID 106014958
5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine
CID 106811895
5-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 106811696
5-chloro-4-N-[2-(cyclopenten-1-yl)ethyl]pyrimidine-4,6-diamine
CID 106812320
4-N-(2-cyclopropylethyl)-6-fluoropyrimidine-4,5-diamine
CID 164657826

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine (CID 106812243) is 5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine is Nc1ncnc(NCCC2CCC2)c1Cl.
What is the InChIKey of 5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine?
The InChIKey is NZPBLQKTQCNJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c11-8-9(12)14-6-15-10(8)13-5-4-7-2-1-3-7/h6-7H,1-5H2,(H3,12,13,14,15).
What are the key properties of 5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine?
5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine has a molecular weight of 226.71 g/mol, XLogP of 2.31, 4 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-cyclobutylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106812243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).