6-chloro-4-(methylamino)-1H-pyrimidin-2-one

C5H6ClN3O — CID 14377178

IUPAC6-chloro-4-(methylamino)-1H-pyrimidin-2-one
SMILESCNc1cc(Cl)[nH]c(=O)n1
InChIInChI=1S/C5H6ClN3O/c1-7-4-2-3(6)8-5(10)9-4/h2H,1H3,(H2,7,8,9,10)
InChIKeySYIHGHMHHZNERR-UHFFFAOYSA-N
MW159.58 g/mol
LogP0.47
Rot. Bonds1

About 6-chloro-4-(methylamino)-1H-pyrimidin-2-one

6-chloro-4-(methylamino)-1H-pyrimidin-2-one (PubChem CID 14377178) has the molecular formula C5H6ClN3O and a molecular weight of 159.58 g/mol. Its IUPAC name is 6-chloro-4-(methylamino)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-chloro-4-(methylamino)-1H-pyrimidin-2-one
PubChem CID14377178
Molecular FormulaC5H6ClN3O
Molecular Weight159.58 g/mol
Exact Mass159.02
IUPAC Name6-chloro-4-(methylamino)-1H-pyrimidin-2-one
SMILESCNc1cc(Cl)[nH]c(=O)n1
InChIInChI=1S/C5H6ClN3O/c1-7-4-2-3(6)8-5(10)9-4/h2H,1H3,(H2,7,8,9,10)
InChIKeySYIHGHMHHZNERR-UHFFFAOYSA-N
XLogP0.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.58
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(methylamino)-1H-pyrimidin-2-one?
The IUPAC name of 6-chloro-4-(methylamino)-1H-pyrimidin-2-one (CID 14377178) is 6-chloro-4-(methylamino)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-chloro-4-(methylamino)-1H-pyrimidin-2-one?
The canonical SMILES for 6-chloro-4-(methylamino)-1H-pyrimidin-2-one is CNc1cc(Cl)[nH]c(=O)n1.
What is the InChIKey of 6-chloro-4-(methylamino)-1H-pyrimidin-2-one?
The InChIKey is SYIHGHMHHZNERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O/c1-7-4-2-3(6)8-5(10)9-4/h2H,1H3,(H2,7,8,9,10).
What are the key properties of 6-chloro-4-(methylamino)-1H-pyrimidin-2-one?
6-chloro-4-(methylamino)-1H-pyrimidin-2-one has a molecular weight of 159.58 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(methylamino)-1H-pyrimidin-2-one is sourced from PubChem (CID 14377178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).