6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide

C18H19N5O2 — CID 109330438

IUPAC6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C)on2)nc(NCCc2ccccc2)n1
InChIInChI=1S/C18H19N5O2/c1-12-10-15(17(24)22-16-11-13(2)25-23-16)21-18(20-12)19-9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,19,20,21)(H,22,23,24)
InChIKeyYSOAJFOVBKFXLK-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.99
Rot. Bonds6

About 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide

6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109330438) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109330438
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(C)on2)nc(NCCc2ccccc2)n1
InChIInChI=1S/C18H19N5O2/c1-12-10-15(17(24)22-16-11-13(2)25-23-16)21-18(20-12)19-9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,19,20,21)(H,22,23,24)
InChIKeyYSOAJFOVBKFXLK-UHFFFAOYSA-N
XLogP2.99
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327667
N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259621
N-(5-methyl-1,2-oxazol-3-yl)-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191960
2-(3-methoxypropylamino)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109324026
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109327222
N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330392
N-[4-(dimethylamino)phenyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330424
N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330431
N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194952
6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 112847653
N-(2,5-dimethylphenyl)-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109332465
N-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109328531

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide (CID 109330438) is 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cc(C)on2)nc(NCCc2ccccc2)n1.
What is the InChIKey of 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is YSOAJFOVBKFXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-10-15(17(24)22-16-11-13(2)25-23-16)21-18(20-12)19-9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9H2,1-2H3,(H,19,20,21)(H,22,23,24).
What are the key properties of 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109330438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).