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

C13H16N4O — CID 135408562

IUPAC2-amino-5-ethyl-4-(2-methylanilino)-1H-pyrimidin-6-one
SMILESCCc1c(Nc2ccccc2C)nc(N)[nH]c1=O
InChIInChI=1S/C13H16N4O/c1-3-9-11(16-13(14)17-12(9)18)15-10-7-5-4-6-8(10)2/h4-7H,3H2,1-2H3,(H4,14,15,16,17,18)
InChIKeyFIBJWJZGNVOMBW-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.97
Rot. Bonds3

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

2-amino-5-ethyl-4-(2-methylanilino)-1H-pyrimidin-6-one (PubChem CID 135408562) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-amino-5-ethyl-4-(2-methylanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-ethyl-4-(2-methylanilino)-1H-pyrimidin-6-one
PubChem CID135408562
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-amino-5-ethyl-4-(2-methylanilino)-1H-pyrimidin-6-one
SMILESCCc1c(Nc2ccccc2C)nc(N)[nH]c1=O
InChIInChI=1S/C13H16N4O/c1-3-9-11(16-13(14)17-12(9)18)15-10-7-5-4-6-8(10)2/h4-7H,3H2,1-2H3,(H4,14,15,16,17,18)
InChIKeyFIBJWJZGNVOMBW-UHFFFAOYSA-N
XLogP1.97
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-ethyl-4-(2-methylanilino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-ethyl-4-(2-methylanilino)-1H-pyrimidin-6-one (CID 135408562) is 2-amino-5-ethyl-4-(2-methylanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-ethyl-4-(2-methylanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-ethyl-4-(2-methylanilino)-1H-pyrimidin-6-one is CCc1c(Nc2ccccc2C)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-5-ethyl-4-(2-methylanilino)-1H-pyrimidin-6-one?
The InChIKey is FIBJWJZGNVOMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-9-11(16-13(14)17-12(9)18)15-10-7-5-4-6-8(10)2/h4-7H,3H2,1-2H3,(H4,14,15,16,17,18).
What are the key properties of 2-amino-5-ethyl-4-(2-methylanilino)-1H-pyrimidin-6-one?
2-amino-5-ethyl-4-(2-methylanilino)-1H-pyrimidin-6-one has a molecular weight of 244.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-ethyl-4-(2-methylanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135408562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).