2-amino-4-(2-chloroanilino)-5-ethyl-1H-pyrimidin-6-one

C12H13ClN4O — CID 135408548

IUPAC2-amino-4-(2-chloroanilino)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1c(Nc2ccccc2Cl)nc(N)[nH]c1=O
InChIInChI=1S/C12H13ClN4O/c1-2-7-10(16-12(14)17-11(7)18)15-9-6-4-3-5-8(9)13/h3-6H,2H2,1H3,(H4,14,15,16,17,18)
InChIKeyNNNAJUCDJFYYKF-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.31
Rot. Bonds3

About 2-amino-4-(2-chloroanilino)-5-ethyl-1H-pyrimidin-6-one

2-amino-4-(2-chloroanilino)-5-ethyl-1H-pyrimidin-6-one (PubChem CID 135408548) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-amino-4-(2-chloroanilino)-5-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2-chloroanilino)-5-ethyl-1H-pyrimidin-6-one
PubChem CID135408548
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-amino-4-(2-chloroanilino)-5-ethyl-1H-pyrimidin-6-one
SMILESCCc1c(Nc2ccccc2Cl)nc(N)[nH]c1=O
InChIInChI=1S/C12H13ClN4O/c1-2-7-10(16-12(14)17-11(7)18)15-9-6-4-3-5-8(9)13/h3-6H,2H2,1H3,(H4,14,15,16,17,18)
InChIKeyNNNAJUCDJFYYKF-UHFFFAOYSA-N
XLogP2.31
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chloroanilino)-5-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2-chloroanilino)-5-ethyl-1H-pyrimidin-6-one (CID 135408548) is 2-amino-4-(2-chloroanilino)-5-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2-chloroanilino)-5-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2-chloroanilino)-5-ethyl-1H-pyrimidin-6-one is CCc1c(Nc2ccccc2Cl)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-4-(2-chloroanilino)-5-ethyl-1H-pyrimidin-6-one?
The InChIKey is NNNAJUCDJFYYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-2-7-10(16-12(14)17-11(7)18)15-9-6-4-3-5-8(9)13/h3-6H,2H2,1H3,(H4,14,15,16,17,18).
What are the key properties of 2-amino-4-(2-chloroanilino)-5-ethyl-1H-pyrimidin-6-one?
2-amino-4-(2-chloroanilino)-5-ethyl-1H-pyrimidin-6-one has a molecular weight of 264.72 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chloroanilino)-5-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135408548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).