2,5-diamino-4-chloro-1H-pyrimidin-6-one

C4H5ClN4O — CID 135773349

IUPAC2,5-diamino-4-chloro-1H-pyrimidin-6-one
SMILESNc1nc(Cl)c(N)c(=O)[nH]1
InChIInChI=1S/C4H5ClN4O/c5-2-1(6)3(10)9-4(7)8-2/h6H2,(H3,7,8,9,10)
InChIKeyRCWQNWLENGGQIK-UHFFFAOYSA-N
MW160.56 g/mol
LogP-0.41
Rot. Bonds

About 2,5-diamino-4-chloro-1H-pyrimidin-6-one

2,5-diamino-4-chloro-1H-pyrimidin-6-one (PubChem CID 135773349) has the molecular formula C4H5ClN4O and a molecular weight of 160.56 g/mol. Its IUPAC name is 2,5-diamino-4-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-chloro-1H-pyrimidin-6-one
PubChem CID135773349
Molecular FormulaC4H5ClN4O
Molecular Weight160.56 g/mol
Exact Mass160.02
IUPAC Name2,5-diamino-4-chloro-1H-pyrimidin-6-one
SMILESNc1nc(Cl)c(N)c(=O)[nH]1
InChIInChI=1S/C4H5ClN4O/c5-2-1(6)3(10)9-4(7)8-2/h6H2,(H3,7,8,9,10)
InChIKeyRCWQNWLENGGQIK-UHFFFAOYSA-N
XLogP-0.41
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.56
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-chloro-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-chloro-1H-pyrimidin-6-one (CID 135773349) is 2,5-diamino-4-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-chloro-1H-pyrimidin-6-one is Nc1nc(Cl)c(N)c(=O)[nH]1.
What is the InChIKey of 2,5-diamino-4-chloro-1H-pyrimidin-6-one?
The InChIKey is RCWQNWLENGGQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClN4O/c5-2-1(6)3(10)9-4(7)8-2/h6H2,(H3,7,8,9,10).
What are the key properties of 2,5-diamino-4-chloro-1H-pyrimidin-6-one?
2,5-diamino-4-chloro-1H-pyrimidin-6-one has a molecular weight of 160.56 g/mol, XLogP of -0.41, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 135773349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).