6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine

C13H21ClN4 — CID 83113894

IUPAC6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCC1(N(C)C)CCCC1
InChIInChI=1S/C13H21ClN4/c1-10-11(14)16-9-17-12(10)15-8-13(18(2)3)6-4-5-7-13/h9H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyMKMGFNSQVXMGLQ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.72
Rot. Bonds4

About 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine

6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine (PubChem CID 83113894) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine
PubChem CID83113894
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine
SMILESCc1c(Cl)ncnc1NCC1(N(C)C)CCCC1
InChIInChI=1S/C13H21ClN4/c1-10-11(14)16-9-17-12(10)15-8-13(18(2)3)6-4-5-7-13/h9H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyMKMGFNSQVXMGLQ-UHFFFAOYSA-N
XLogP2.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine (CID 83113894) is 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine is Cc1c(Cl)ncnc1NCC1(N(C)C)CCCC1.
What is the InChIKey of 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine?
The InChIKey is MKMGFNSQVXMGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-10-11(14)16-9-17-12(10)15-8-13(18(2)3)6-4-5-7-13/h9H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine?
6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine has a molecular weight of 268.79 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[1-(dimethylamino)cyclopentyl]methyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 83113894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).