6-chloro-4-N-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,5-diamine

C11H17ClN4 — CID 142185263

IUPAC6-chloro-4-N-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,5-diamine
SMILESCC1CCC(N(C)c2ncnc(Cl)c2N)C1
InChIInChI=1S/C11H17ClN4/c1-7-3-4-8(5-7)16(2)11-9(13)10(12)14-6-15-11/h6-8H,3-5,13H2,1-2H3
InChIKeyQYPXXNLGQXQIOY-UHFFFAOYSA-N
MW240.74 g/mol
LogP2.34
Rot. Bonds2

About 6-chloro-4-N-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,5-diamine

6-chloro-4-N-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,5-diamine (PubChem CID 142185263) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,5-diamine
PubChem CID142185263
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name6-chloro-4-N-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,5-diamine
SMILESCC1CCC(N(C)c2ncnc(Cl)c2N)C1
InChIInChI=1S/C11H17ClN4/c1-7-3-4-8(5-7)16(2)11-9(13)10(12)14-6-15-11/h6-8H,3-5,13H2,1-2H3
InChIKeyQYPXXNLGQXQIOY-UHFFFAOYSA-N
XLogP2.34
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,5-diamine (CID 142185263) is 6-chloro-4-N-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,5-diamine is CC1CCC(N(C)c2ncnc(Cl)c2N)C1.
What is the InChIKey of 6-chloro-4-N-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,5-diamine?
The InChIKey is QYPXXNLGQXQIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-7-3-4-8(5-7)16(2)11-9(13)10(12)14-6-15-11/h6-8H,3-5,13H2,1-2H3.
What are the key properties of 6-chloro-4-N-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,5-diamine?
6-chloro-4-N-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,5-diamine has a molecular weight of 240.74 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-4-N-(3-methylcyclopentyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 142185263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).