2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide

C18H23N3O2 — CID 53080162

IUPAC2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2cnc(CC)nc2C)cc1
InChIInChI=1S/C18H23N3O2/c1-4-10-23-15-8-6-14(7-9-15)11-20-18(22)16-12-19-17(5-2)21-13(16)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,22)
InChIKeyNJVSFIKCDUFQJP-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.07
Rot. Bonds7

About 2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide

2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 53080162) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide
PubChem CID53080162
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2cnc(CC)nc2C)cc1
InChIInChI=1S/C18H23N3O2/c1-4-10-23-15-8-6-14(7-9-15)11-20-18(22)16-12-19-17(5-2)21-13(16)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,22)
InChIKeyNJVSFIKCDUFQJP-UHFFFAOYSA-N
XLogP3.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 53007174
N-benzyl-2,4-dimethylpyrimidine-5-carboxamide
CID 53007173
2,4-dimethyl-N-[(4-methylsulfanylphenyl)methyl]pyrimidine-5-carboxamide
CID 53080175
4-methyl-2-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]pyrimidine-5-carboxamide
CID 20913598
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843870
2-amino-6-(methoxymethyl)-N-[[4-(4-propoxyphenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 66843370
2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide
CID 112836023
2-oxo-N-[(4-propoxyphenyl)methyl]chromene-3-carboxamide
CID 110793766
2-amino-N-benzyl-4-methylpyrimidine-5-carboxamide
CID 1487920
N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959741
5-(4-ethylanilino)-N-[(4-propoxyphenyl)methyl]-2H-triazole-4-carboxamide
CID 50928971

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide (CID 53080162) is 2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide is CCCOc1ccc(CNC(=O)c2cnc(CC)nc2C)cc1.
What is the InChIKey of 2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is NJVSFIKCDUFQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-10-23-15-8-6-14(7-9-15)11-20-18(22)16-12-19-17(5-2)21-13(16)3/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,22).
What are the key properties of 2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide?
2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[(4-propoxyphenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 53080162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).