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

C11H17ClN4 — CID 82459485

IUPAC6-chloro-4-N-cyclopropyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCC(C)Cc1nc(Cl)c(N)c(NC2CC2)n1
InChIInChI=1S/C11H17ClN4/c1-6(2)5-8-15-10(12)9(13)11(16-8)14-7-3-4-7/h6-7H,3-5,13H2,1-2H3,(H,14,15,16)
InChIKeyOXEXMRMHJXMXQV-UHFFFAOYSA-N
MW240.74 g/mol
LogP2.48
Rot. Bonds4

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

6-chloro-4-N-cyclopropyl-2-(2-methylpropyl)pyrimidine-4,5-diamine (PubChem CID 82459485) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 6-chloro-4-N-cyclopropyl-2-(2-methylpropyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-cyclopropyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
PubChem CID82459485
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name6-chloro-4-N-cyclopropyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
SMILESCC(C)Cc1nc(Cl)c(N)c(NC2CC2)n1
InChIInChI=1S/C11H17ClN4/c1-6(2)5-8-15-10(12)9(13)11(16-8)14-7-3-4-7/h6-7H,3-5,13H2,1-2H3,(H,14,15,16)
InChIKeyOXEXMRMHJXMXQV-UHFFFAOYSA-N
XLogP2.48
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 52.48
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-cyclohexyl-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459511
4-N-cyclopropyl-6-methoxy-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458201
4-N-cyclopentyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458313
4-N-tert-butyl-6-chloro-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459489
6-chloro-4-N-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82459523
6-chloro-2-methyl-4-N-(oxan-4-yl)pyrimidine-4,5-diamine
CID 59374557
4-N-cyclopropyl-2-methyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455507
4-N,2-dicyclopropyl-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82456288
6-chloro-4-N-(3-propylcyclopentyl)-2-propylsulfanylpyrimidine-4,5-diamine
CID 166876327
6-chloro-2-ethyl-5-methyl-N-(4-methylcyclohexyl)pyrimidin-4-amine
CID 80970615
4-N-ethyl-6-(2-methylpropoxy)-2-(2-methylpropyl)pyrimidine-4,5-diamine
CID 82458307

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-cyclopropyl-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-cyclopropyl-2-(2-methylpropyl)pyrimidine-4,5-diamine (CID 82459485) is 6-chloro-4-N-cyclopropyl-2-(2-methylpropyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-cyclopropyl-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-cyclopropyl-2-(2-methylpropyl)pyrimidine-4,5-diamine is CC(C)Cc1nc(Cl)c(N)c(NC2CC2)n1.
What is the InChIKey of 6-chloro-4-N-cyclopropyl-2-(2-methylpropyl)pyrimidine-4,5-diamine?
The InChIKey is OXEXMRMHJXMXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-6(2)5-8-15-10(12)9(13)11(16-8)14-7-3-4-7/h6-7H,3-5,13H2,1-2H3,(H,14,15,16).
What are the key properties of 6-chloro-4-N-cyclopropyl-2-(2-methylpropyl)pyrimidine-4,5-diamine?
6-chloro-4-N-cyclopropyl-2-(2-methylpropyl)pyrimidine-4,5-diamine has a molecular weight of 240.74 g/mol, XLogP of 2.48, 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-cyclopropyl-2-(2-methylpropyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 82459485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).