4,6-bis(dimethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide

C14H18N6O — CID 976663

IUPAC4,6-bis(dimethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide
SMILESCN(C)c1nc(C(=O)Nc2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C14H18N6O/c1-19(2)13-16-11(17-14(18-13)20(3)4)12(21)15-10-8-6-5-7-9-10/h5-9H,1-4H3,(H,15,21)
InChIKeyPGQUBLAWTZLYOF-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.26
Rot. Bonds4

About 4,6-bis(dimethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide

4,6-bis(dimethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide (PubChem CID 976663) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 4,6-bis(dimethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4,6-bis(dimethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide
PubChem CID976663
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name4,6-bis(dimethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide
SMILESCN(C)c1nc(C(=O)Nc2ccccc2)nc(N(C)C)n1
InChIInChI=1S/C14H18N6O/c1-19(2)13-16-11(17-14(18-13)20(3)4)12(21)15-10-8-6-5-7-9-10/h5-9H,1-4H3,(H,15,21)
InChIKeyPGQUBLAWTZLYOF-UHFFFAOYSA-N
XLogP1.26
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-bis(ethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide
CID 1088144
2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 2557692
1-[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-2-imino-3-phenylimidazolidin-4-one
CID 823170
2-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]-cyanoamino]-N-phenyl-N-propan-2-ylacetamide
CID 1900779
2-[Cyano-(4,6-dimethyl-pyrimidin-2-yl)-amino]-N-phenyl-acetamide
CID 650125
6-Azepan-1-ylmethyl-N-phenyl-[1,3,5]triazine-2,4-diamine
CID 900594
6-Amino-3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-5-piperidin-1-yl-1-propylpyrimidine-2,4-dione
CID 25483024
4-amino-6-anilino-N'-phenyl-1,3,5-triazine-2-carbohydrazide
CID 72725317
4-Amino-6-anilino-1,3,5-triazine-2-carbohydrazide
CID 125492704
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 17451239
3-Ethyl-5-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 40141357
4-Anilino-6-(dimethylamino)-1,3,5-triazine-2-carbonitrile
CID 44565866

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(dimethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4,6-bis(dimethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide (CID 976663) is 4,6-bis(dimethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4,6-bis(dimethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4,6-bis(dimethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide is CN(C)c1nc(C(=O)Nc2ccccc2)nc(N(C)C)n1.
What is the InChIKey of 4,6-bis(dimethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide?
The InChIKey is PGQUBLAWTZLYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-19(2)13-16-11(17-14(18-13)20(3)4)12(21)15-10-8-6-5-7-9-10/h5-9H,1-4H3,(H,15,21).
What are the key properties of 4,6-bis(dimethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide?
4,6-bis(dimethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(dimethylamino)-N-phenyl-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 976663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).