2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide

C17H22N4O2 — CID 54853812

IUPAC2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide
SMILESCCCOc1cccc(-c2nc(N)nc(C)c2C(=O)NCC)c1
InChIInChI=1S/C17H22N4O2/c1-4-9-23-13-8-6-7-12(10-13)15-14(16(22)19-5-2)11(3)20-17(18)21-15/h6-8,10H,4-5,9H2,1-3H3,(H,19,22)(H2,18,20,21)
InChIKeyGLSPOUXUVNKPLQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.57
Rot. Bonds6

About 2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide

2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 54853812) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide
PubChem CID54853812
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide
SMILESCCCOc1cccc(-c2nc(N)nc(C)c2C(=O)NCC)c1
InChIInChI=1S/C17H22N4O2/c1-4-9-23-13-8-6-7-12(10-13)15-14(16(22)19-5-2)11(3)20-17(18)21-15/h6-8,10H,4-5,9H2,1-3H3,(H,19,22)(H2,18,20,21)
InChIKeyGLSPOUXUVNKPLQ-UHFFFAOYSA-N
XLogP2.57
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carbohydrazide
CID 54850597
2-amino-4-(3-butoxyphenyl)-N,N-diethyl-6-methylpyrimidine-5-carboxamide
CID 54853822
2-amino-4-[3-(2-ethoxyethoxy)phenyl]-6-methylpyrimidine-5-carboxylic acid
CID 54850598
2-amino-N-ethyl-4-methyl-6-[4-(2-phenylethoxy)phenyl]pyrimidine-5-carboxamide
CID 54853701
2-amino-N,4-dimethyl-6-(4-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853581
2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54853624
2-amino-N-ethyl-6-(4-propoxyphenyl)pyrimidine-4-carboxamide
CID 54853940
2-methyl-4-(3-propoxyphenyl)-1,3-thiazol-5-amine
CID 62498658
2-methyl-6-(3-propoxyphenyl)pyridin-3-amine
CID 82467694
2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850497
2-amino-4-(3-bromo-4-propoxyphenyl)-6-methylpyrimidine-5-carboxylic acid
CID 54851688
2-amino-4-(4-heptoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852026

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide (CID 54853812) is 2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide is CCCOc1cccc(-c2nc(N)nc(C)c2C(=O)NCC)c1.
What is the InChIKey of 2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is GLSPOUXUVNKPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-9-23-13-8-6-7-12(10-13)15-14(16(22)19-5-2)11(3)20-17(18)21-15/h6-8,10H,4-5,9H2,1-3H3,(H,19,22)(H2,18,20,21).
What are the key properties of 2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide?
2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 54853812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).