N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide

C18H19N5O3 — CID 112853283

IUPACN-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(Nc2cc(C)on2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H19N5O3/c1-12-10-16(23-26-12)21-15-11-14(18(24)19-8-9-25-2)20-17(22-15)13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3,(H,19,24)(H,20,21,22,23)
InChIKeyJPIHLNYBFGGEFO-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.56
Rot. Bonds7

About N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide

N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853283) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
PubChem CID112853283
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(Nc2cc(C)on2)nc(-c2ccccc2)n1
InChIInChI=1S/C18H19N5O3/c1-12-10-16(23-26-12)21-15-11-14(18(24)19-8-9-25-2)20-17(22-15)13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3,(H,19,24)(H,20,21,22,23)
InChIKeyJPIHLNYBFGGEFO-UHFFFAOYSA-N
XLogP2.56
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851453
6-N-(2-methoxyethyl)-4-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112880373
N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853236
N,N-diethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
CID 112854269
N-(3,4-dimethylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
CID 112854465
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853277
N-ethyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]-N,2-diphenylpyrimidine-4-carboxamide
CID 112854472
N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853211
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852490
6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide
CID 112853384
6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide
CID 112853132

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide (CID 112853283) is N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide is COCCNC(=O)c1cc(Nc2cc(C)on2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide?
The InChIKey is JPIHLNYBFGGEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12-10-16(23-26-12)21-15-11-14(18(24)19-8-9-25-2)20-17(22-15)13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3,(H,19,24)(H,20,21,22,23).
What are the key properties of N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide?
N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).