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

C5H7ClN4 — CID 59104581

IUPAC4-chloro-6-methylpyrimidine-2,5-diamine
SMILESCc1nc(N)nc(Cl)c1N
InChIInChI=1S/C5H7ClN4/c1-2-3(7)4(6)10-5(8)9-2/h7H2,1H3,(H2,8,9,10)
InChIKeyFAQGCXDGGJFKFP-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.60
Rot. Bonds

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

4-chloro-6-methylpyrimidine-2,5-diamine (PubChem CID 59104581) has the molecular formula C5H7ClN4 and a molecular weight of 158.59 g/mol. Its IUPAC name is 4-chloro-6-methylpyrimidine-2,5-diamine.

Molecular Properties

Compound Name4-chloro-6-methylpyrimidine-2,5-diamine
PubChem CID59104581
Molecular FormulaC5H7ClN4
Molecular Weight158.59 g/mol
Exact Mass158.04
IUPAC Name4-chloro-6-methylpyrimidine-2,5-diamine
SMILESCc1nc(N)nc(Cl)c1N
InChIInChI=1S/C5H7ClN4/c1-2-3(7)4(6)10-5(8)9-2/h7H2,1H3,(H2,8,9,10)
InChIKeyFAQGCXDGGJFKFP-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 4-chloro-6-methylpyrimidine-2,5-diamine?
The IUPAC name of 4-chloro-6-methylpyrimidine-2,5-diamine (CID 59104581) is 4-chloro-6-methylpyrimidine-2,5-diamine.
What is the SMILES notation for 4-chloro-6-methylpyrimidine-2,5-diamine?
The canonical SMILES for 4-chloro-6-methylpyrimidine-2,5-diamine is Cc1nc(N)nc(Cl)c1N.
What is the InChIKey of 4-chloro-6-methylpyrimidine-2,5-diamine?
The InChIKey is FAQGCXDGGJFKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4/c1-2-3(7)4(6)10-5(8)9-2/h7H2,1H3,(H2,8,9,10).
What are the key properties of 4-chloro-6-methylpyrimidine-2,5-diamine?
4-chloro-6-methylpyrimidine-2,5-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 4-chloro-6-methylpyrimidine-2,5-diamine is sourced from PubChem (CID 59104581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).