4-chloro-5-(methylamino)-1H-pyrimidin-6-one

C5H6ClN3O — CID 135422287

IUPAC4-chloro-5-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1c(Cl)nc[nH]c1=O
InChIInChI=1S/C5H6ClN3O/c1-7-3-4(6)8-2-9-5(3)10/h2,7H,1H3,(H,8,9,10)
InChIKeyUFIGIMMPSBPXCF-UHFFFAOYSA-N
MW159.58 g/mol
LogP0.47
Rot. Bonds1

About 4-chloro-5-(methylamino)-1H-pyrimidin-6-one

4-chloro-5-(methylamino)-1H-pyrimidin-6-one (PubChem CID 135422287) has the molecular formula C5H6ClN3O and a molecular weight of 159.58 g/mol. Its IUPAC name is 4-chloro-5-(methylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-chloro-5-(methylamino)-1H-pyrimidin-6-one
PubChem CID135422287
Molecular FormulaC5H6ClN3O
Molecular Weight159.58 g/mol
Exact Mass159.02
IUPAC Name4-chloro-5-(methylamino)-1H-pyrimidin-6-one
SMILESCNc1c(Cl)nc[nH]c1=O
InChIInChI=1S/C5H6ClN3O/c1-7-3-4(6)8-2-9-5(3)10/h2,7H,1H3,(H,8,9,10)
InChIKeyUFIGIMMPSBPXCF-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 4-chloro-5-(methylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-chloro-5-(methylamino)-1H-pyrimidin-6-one (CID 135422287) is 4-chloro-5-(methylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-chloro-5-(methylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-chloro-5-(methylamino)-1H-pyrimidin-6-one is CNc1c(Cl)nc[nH]c1=O.
What is the InChIKey of 4-chloro-5-(methylamino)-1H-pyrimidin-6-one?
The InChIKey is UFIGIMMPSBPXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O/c1-7-3-4(6)8-2-9-5(3)10/h2,7H,1H3,(H,8,9,10).
What are the key properties of 4-chloro-5-(methylamino)-1H-pyrimidin-6-one?
4-chloro-5-(methylamino)-1H-pyrimidin-6-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 4-chloro-5-(methylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135422287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).