4-amino-N-phenyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxamide

C13H16N6O — CID 134914237

IUPAC4-amino-N-phenyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxamide
SMILESCC(C)Nc1nc(N)nc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C13H16N6O/c1-8(2)15-13-18-10(17-12(14)19-13)11(20)16-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,20)(H3,14,15,17,18,19)
InChIKeyNGBLIHFMYDIJDG-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.53
Rot. Bonds4

About 4-amino-N-phenyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxamide

4-amino-N-phenyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxamide (PubChem CID 134914237) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-amino-N-phenyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-phenyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxamide
PubChem CID134914237
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name4-amino-N-phenyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxamide
SMILESCC(C)Nc1nc(N)nc(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C13H16N6O/c1-8(2)15-13-18-10(17-12(14)19-13)11(20)16-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,20)(H3,14,15,17,18,19)
InChIKeyNGBLIHFMYDIJDG-UHFFFAOYSA-N
XLogP1.53
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine;propan-2-yl N-phenylcarbamate
CID 21455185
2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 27784
N-phenyl-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179724
2-methyl-N-phenyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360462
2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-phenylpropanamide
CID 112777638
2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 141026020
4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide
CID 647855
N-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109328055
2-[[4-ethyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]-N-phenylpyridine-4-carboxamide
CID 70816192
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319375
2-N-phenyl-1,3,5-triazine-2,4,6-triamine;phosphoric acid
CID 162156897
N-phenyl-7-(propan-2-ylamino)imidazo[1,2-a]pyridine-2-carboxamide
CID 163902440

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-phenyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4-amino-N-phenyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxamide (CID 134914237) is 4-amino-N-phenyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4-amino-N-phenyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4-amino-N-phenyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxamide is CC(C)Nc1nc(N)nc(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 4-amino-N-phenyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxamide?
The InChIKey is NGBLIHFMYDIJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-8(2)15-13-18-10(17-12(14)19-13)11(20)16-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,16,20)(H3,14,15,17,18,19).
What are the key properties of 4-amino-N-phenyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxamide?
4-amino-N-phenyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-phenyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 134914237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).