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

C16H15N5O2 — CID 109346618

IUPAC6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(NCc3ccccc3)ncn2)no1
InChIInChI=1S/C16H15N5O2/c1-11-7-15(21-23-11)20-16(22)13-8-14(19-10-18-13)17-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18,19)(H,20,21,22)
InChIKeyUAGWPOUNQSSDFC-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.64
Rot. Bonds5

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

6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (PubChem CID 109346618) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
PubChem CID109346618
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Name6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(NCc3ccccc3)ncn2)no1
InChIInChI=1S/C16H15N5O2/c1-11-7-15(21-23-11)20-16(22)13-8-14(19-10-18-13)17-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18,19)(H,20,21,22)
InChIKeyUAGWPOUNQSSDFC-UHFFFAOYSA-N
XLogP2.64
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4-chlorophenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109348751
6-(benzylamino)-N-(4-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109346550
6-(benzylamino)-N-(2-chlorophenyl)pyrimidine-4-carboxamide
CID 109346545
6-[(4-chlorophenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109348697
6-(benzylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109346565
6-(benzylamino)-N-(4-bromo-3-methylphenyl)pyrimidine-4-carboxamide
CID 109346592
6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109346544
6-[2-(4-methoxyphenoxy)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109353668
N-phenyl-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350174
6-(2,6-difluoroanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109359971
6-(butan-2-ylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide
CID 109340762
6-(benzylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109346615

Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide (CID 109346618) is 6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is Cc1cc(NC(=O)c2cc(NCc3ccccc3)ncn2)no1.
What is the InChIKey of 6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
The InChIKey is UAGWPOUNQSSDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-11-7-15(21-23-11)20-16(22)13-8-14(19-10-18-13)17-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18,19)(H,20,21,22).
What are the key properties of 6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide?
6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109346618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).