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

C9H13ClN4 — CID 80783168

IUPAC5-chloro-4-N-(cyclobutylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(NCC2CCC2)n1
InChIInChI=1S/C9H13ClN4/c10-7-5-13-9(11)14-8(7)12-4-6-2-1-3-6/h5-6H,1-4H2,(H3,11,12,13,14)
InChIKeyZEGZOOYATOKKBE-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.92
Rot. Bonds3

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

5-chloro-4-N-(cyclobutylmethyl)pyrimidine-2,4-diamine (PubChem CID 80783168) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 5-chloro-4-N-(cyclobutylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(cyclobutylmethyl)pyrimidine-2,4-diamine
PubChem CID80783168
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name5-chloro-4-N-(cyclobutylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(NCC2CCC2)n1
InChIInChI=1S/C9H13ClN4/c10-7-5-13-9(11)14-8(7)12-4-6-2-1-3-6/h5-6H,1-4H2,(H3,11,12,13,14)
InChIKeyZEGZOOYATOKKBE-UHFFFAOYSA-N
XLogP1.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813611
2,5-dichloro-N-(cyclohexylmethyl)pyrimidin-4-amine
CID 79633102
5-bromo-4-N-(cyclohexylmethyl)pyrimidine-2,4-diamine
CID 80784182
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-2,4-diamine
CID 80836031
5-chloro-4-N-(2-fluoroethyl)pyrimidine-2,4-diamine
CID 130505088
5-chloro-4-N-[2-[cyclopropyl(methyl)amino]ethyl]pyrimidine-2,4-diamine
CID 80823116
5-chloro-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80777087
3,5-dichloro-6-N-(cyclobutylmethyl)-2-N-propylpyridine-2,6-diamine
CID 102755904
2-chloro-N-(cyclobutylmethyl)-5-fluoropyrimidin-4-amine
CID 79081830
2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 79632916
5-chloro-2-hydrazinyl-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 80903527
5-fluoro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813012

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(cyclobutylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-4-N-(cyclobutylmethyl)pyrimidine-2,4-diamine (CID 80783168) is 5-chloro-4-N-(cyclobutylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-4-N-(cyclobutylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-4-N-(cyclobutylmethyl)pyrimidine-2,4-diamine is Nc1ncc(Cl)c(NCC2CCC2)n1.
What is the InChIKey of 5-chloro-4-N-(cyclobutylmethyl)pyrimidine-2,4-diamine?
The InChIKey is ZEGZOOYATOKKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4/c10-7-5-13-9(11)14-8(7)12-4-6-2-1-3-6/h5-6H,1-4H2,(H3,11,12,13,14).
What are the key properties of 5-chloro-4-N-(cyclobutylmethyl)pyrimidine-2,4-diamine?
5-chloro-4-N-(cyclobutylmethyl)pyrimidine-2,4-diamine has a molecular weight of 212.68 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(cyclobutylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80783168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).