2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine

C12H19ClN4 — CID 114044015

IUPAC2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(NCC2CCCC2C)c1N
InChIInChI=1S/C12H19ClN4/c1-7-4-3-5-9(7)6-15-11-10(14)8(2)16-12(13)17-11/h7,9H,3-6,14H2,1-2H3,(H,15,16,17)
InChIKeyABJOVZGESLXCLF-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.87
Rot. Bonds3

About 2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine

2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine (PubChem CID 114044015) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine
PubChem CID114044015
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC Name2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(NCC2CCCC2C)c1N
InChIInChI=1S/C12H19ClN4/c1-7-4-3-5-9(7)6-15-11-10(14)8(2)16-12(13)17-11/h7,9H,3-6,14H2,1-2H3,(H,15,16,17)
InChIKeyABJOVZGESLXCLF-UHFFFAOYSA-N
XLogP2.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine (CID 114044015) is 2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine is Cc1nc(Cl)nc(NCC2CCCC2C)c1N.
What is the InChIKey of 2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine?
The InChIKey is ABJOVZGESLXCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4/c1-7-4-3-5-9(7)6-15-11-10(14)8(2)16-12(13)17-11/h7,9H,3-6,14H2,1-2H3,(H,15,16,17).
What are the key properties of 2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine?
2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine has a molecular weight of 254.76 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-N-[(2-methylcyclopentyl)methyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 114044015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).