4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide

C14H16N4O — CID 83567087

IUPAC4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(-c2ccc(C)cc2)nc1N
InChIInChI=1S/C14H16N4O/c1-3-16-14(19)11-8-17-13(18-12(11)15)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,16,19)(H2,15,17,18)
InChIKeyYWOZMDYWFLHDQJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.78
Rot. Bonds3

About 4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide

4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide (PubChem CID 83567087) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
PubChem CID83567087
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide
SMILESCCNC(=O)c1cnc(-c2ccc(C)cc2)nc1N
InChIInChI=1S/C14H16N4O/c1-3-16-14(19)11-8-17-13(18-12(11)15)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,16,19)(H2,15,17,18)
InChIKeyYWOZMDYWFLHDQJ-UHFFFAOYSA-N
XLogP1.78
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide (CID 83567087) is 4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide is CCNC(=O)c1cnc(-c2ccc(C)cc2)nc1N.
What is the InChIKey of 4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide?
The InChIKey is YWOZMDYWFLHDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-3-16-14(19)11-8-17-13(18-12(11)15)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,16,19)(H2,15,17,18).
What are the key properties of 4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide?
4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 83567087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).