5-amino-6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one

C8H10ClN3O — CID 114582596

IUPAC5-amino-6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC2CC2)c1=O
InChIInChI=1S/C8H10ClN3O/c9-7-6(10)8(13)12(4-11-7)3-5-1-2-5/h4-5H,1-3,10H2
InChIKeyJBOFZHGHYUYRIH-UHFFFAOYSA-N
MW199.64 g/mol
LogP0.89
Rot. Bonds2

About 5-amino-6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one

5-amino-6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one (PubChem CID 114582596) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 5-amino-6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one
PubChem CID114582596
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name5-amino-6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one
SMILESNc1c(Cl)ncn(CC2CC2)c1=O
InChIInChI=1S/C8H10ClN3O/c9-7-6(10)8(13)12(4-11-7)3-5-1-2-5/h4-5H,1-3,10H2
InChIKeyJBOFZHGHYUYRIH-UHFFFAOYSA-N
XLogP0.89
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Amino-6-chloro-3-(4,4,4-trifluorobutyl)pyrimidin-4-one
CID 114582585
5-Amino-6-chloro-3-(3-fluoropropyl)pyrimidin-4-one
CID 114582822
5-Amino-6-chloro-3-pentan-2-ylpyrimidin-4-one
CID 107885725
2-(4-chloro-6-oxopyrimidin-1-yl)-N-(cyclopropylmethyl)acetamide
CID 114582374
5-Amino-6-chloro-3-(2-methylbutyl)pyrimidin-4-one
CID 114582460
5-Amino-6-chloro-3-pentylpyrimidin-4-one
CID 114582471
5-Amino-3-but-3-ynyl-6-chloropyrimidin-4-one
CID 114582519
5-Amino-6-chloro-3-(2-methylprop-2-enyl)pyrimidin-4-one
CID 114582524
4-(5-Amino-4-chloro-6-oxopyrimidin-1-yl)butanenitrile
CID 114582532
5-Amino-6-chloro-3-[2-(diethylamino)ethyl]pyrimidin-4-one
CID 114582542
5-Amino-6-chloro-3-(2-methylpentyl)pyrimidin-4-one
CID 114582543
5-Amino-6-chloro-3-cyclopentylpyrimidin-4-one
CID 114582559

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one (CID 114582596) is 5-amino-6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one is Nc1c(Cl)ncn(CC2CC2)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one?
The InChIKey is JBOFZHGHYUYRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c9-7-6(10)8(13)12(4-11-7)3-5-1-2-5/h4-5H,1-3,10H2.
What are the key properties of 5-amino-6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one?
5-amino-6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one has a molecular weight of 199.64 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-(cyclopropylmethyl)pyrimidin-4-one is sourced from PubChem (CID 114582596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).