6-chloro-2-methylpyrimidine-4,5-diamine

C5H7ClN4 — CID 594145

IUPAC6-chloro-2-methylpyrimidine-4,5-diamine
SMILESCc1nc(N)c(N)c(Cl)n1
InChIInChI=1S/C5H7ClN4/c1-2-9-4(6)3(7)5(8)10-2/h7H2,1H3,(H2,8,9,10)
InChIKeySGPFPRGCGZLZPP-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.60
Rot. Bonds

About 6-chloro-2-methylpyrimidine-4,5-diamine

6-chloro-2-methylpyrimidine-4,5-diamine (PubChem CID 594145) has the molecular formula C5H7ClN4 and a molecular weight of 158.59 g/mol. Its IUPAC name is 6-chloro-2-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-2-methylpyrimidine-4,5-diamine
PubChem CID594145
Molecular FormulaC5H7ClN4
Molecular Weight158.59 g/mol
Exact Mass158.04
IUPAC Name6-chloro-2-methylpyrimidine-4,5-diamine
SMILESCc1nc(N)c(N)c(Cl)n1
InChIInChI=1S/C5H7ClN4/c1-2-9-4(6)3(7)5(8)10-2/h7H2,1H3,(H2,8,9,10)
InChIKeySGPFPRGCGZLZPP-UHFFFAOYSA-N
XLogP0.60
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylpyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-2-methylpyrimidine-4,5-diamine (CID 594145) is 6-chloro-2-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-2-methylpyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-2-methylpyrimidine-4,5-diamine is Cc1nc(N)c(N)c(Cl)n1.
What is the InChIKey of 6-chloro-2-methylpyrimidine-4,5-diamine?
The InChIKey is SGPFPRGCGZLZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4/c1-2-9-4(6)3(7)5(8)10-2/h7H2,1H3,(H2,8,9,10).
What are the key properties of 6-chloro-2-methylpyrimidine-4,5-diamine?
6-chloro-2-methylpyrimidine-4,5-diamine has a molecular weight of 158.59 g/mol, XLogP of 0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 594145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).