5-amino-4-chloro-1H-pyrimidin-6-one

C4H4ClN3O — CID 135431322

IUPAC5-amino-4-chloro-1H-pyrimidin-6-one
SMILESNc1c(Cl)nc[nH]c1=O
InChIInChI=1S/C4H4ClN3O/c5-3-2(6)4(9)8-1-7-3/h1H,6H2,(H,7,8,9)
InChIKeyLVMZMDMVDWIZAL-UHFFFAOYSA-N
MW145.55 g/mol
LogP0.01
Rot. Bonds

About 5-amino-4-chloro-1H-pyrimidin-6-one

5-amino-4-chloro-1H-pyrimidin-6-one (PubChem CID 135431322) has the molecular formula C4H4ClN3O and a molecular weight of 145.55 g/mol. Its IUPAC name is 5-amino-4-chloro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-chloro-1H-pyrimidin-6-one
PubChem CID135431322
Molecular FormulaC4H4ClN3O
Molecular Weight145.55 g/mol
Exact Mass145.00
IUPAC Name5-amino-4-chloro-1H-pyrimidin-6-one
SMILESNc1c(Cl)nc[nH]c1=O
InChIInChI=1S/C4H4ClN3O/c5-3-2(6)4(9)8-1-7-3/h1H,6H2,(H,7,8,9)
InChIKeyLVMZMDMVDWIZAL-UHFFFAOYSA-N
XLogP0.01
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.55
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-chloro-1H-pyrimidin-6-one (CID 135431322) is 5-amino-4-chloro-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-chloro-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-chloro-1H-pyrimidin-6-one is Nc1c(Cl)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-chloro-1H-pyrimidin-6-one?
The InChIKey is LVMZMDMVDWIZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4ClN3O/c5-3-2(6)4(9)8-1-7-3/h1H,6H2,(H,7,8,9).
What are the key properties of 5-amino-4-chloro-1H-pyrimidin-6-one?
5-amino-4-chloro-1H-pyrimidin-6-one has a molecular weight of 145.55 g/mol, XLogP of 0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-1H-pyrimidin-6-one is sourced from PubChem (CID 135431322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).