5-chloropyrimidine-2,4-diamine

C4H5ClN4 — CID 12580432

IUPAC5-chloropyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(N)n1
InChIInChI=1S/C4H5ClN4/c5-2-1-8-4(7)9-3(2)6/h1H,(H4,6,7,8,9)
InChIKeyZXPMVKXDIBNUKN-UHFFFAOYSA-N
MW144.57 g/mol
LogP0.29
Rot. Bonds

About 5-chloropyrimidine-2,4-diamine

5-chloropyrimidine-2,4-diamine (PubChem CID 12580432) has the molecular formula C4H5ClN4 and a molecular weight of 144.57 g/mol. Its IUPAC name is 5-chloropyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloropyrimidine-2,4-diamine
PubChem CID12580432
Molecular FormulaC4H5ClN4
Molecular Weight144.57 g/mol
Exact Mass144.02
IUPAC Name5-chloropyrimidine-2,4-diamine
SMILESNc1ncc(Cl)c(N)n1
InChIInChI=1S/C4H5ClN4/c5-2-1-8-4(7)9-3(2)6/h1H,(H4,6,7,8,9)
InChIKeyZXPMVKXDIBNUKN-UHFFFAOYSA-N
XLogP0.29
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.57
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloropyrimidine-2,4-diamine?
The IUPAC name of 5-chloropyrimidine-2,4-diamine (CID 12580432) is 5-chloropyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloropyrimidine-2,4-diamine?
The canonical SMILES for 5-chloropyrimidine-2,4-diamine is Nc1ncc(Cl)c(N)n1.
What is the InChIKey of 5-chloropyrimidine-2,4-diamine?
The InChIKey is ZXPMVKXDIBNUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN4/c5-2-1-8-4(7)9-3(2)6/h1H,(H4,6,7,8,9).
What are the key properties of 5-chloropyrimidine-2,4-diamine?
5-chloropyrimidine-2,4-diamine has a molecular weight of 144.57 g/mol, XLogP of 0.29, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloropyrimidine-2,4-diamine is sourced from PubChem (CID 12580432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).