4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide

C10H18N6O — CID 647855

IUPAC4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide
SMILESCC(C)Nc1nc(NC(C)C)nc(C(N)=O)n1
InChIInChI=1S/C10H18N6O/c1-5(2)12-9-14-8(7(11)17)15-10(16-9)13-6(3)4/h5-6H,1-4H3,(H2,11,17)(H2,12,13,14,15,16)
InChIKeyHPQPVSNCLXSJKI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.61
Rot. Bonds5

About 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide

4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide (PubChem CID 647855) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide.

Molecular Properties

Compound Name4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide
PubChem CID647855
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide
SMILESCC(C)Nc1nc(NC(C)C)nc(C(N)=O)n1
InChIInChI=1S/C10H18N6O/c1-5(2)12-9-14-8(7(11)17)15-10(16-9)13-6(3)4/h5-6H,1-4H3,(H2,11,17)(H2,12,13,14,15,16)
InChIKeyHPQPVSNCLXSJKI-UHFFFAOYSA-N
XLogP0.61
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 27784
N'-[4,6-bis(propan-2-ylamino)-1,3,5-triazin-2-yl]-N'-methylacetohydrazide
CID 1240760
4,6-dimethyl-5-propan-2-ylpyrimidine-2-carboxamide
CID 67815665
4-amino-N-phenyl-6-(propan-2-ylamino)-1,3,5-triazine-2-carboxamide
CID 134914237
1,1-dichloro-3-[[4-chloro-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]butan-2-one
CID 20531559
2,4-bis[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]pentan-3-one
CID 174613758
6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319251
2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 67989157
2-[[4-(2-aminoethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 23872852
3-(propan-2-ylamino)-1,2,4-triazine-5-carboxylic acid
CID 105439911
4-(1-phenylethylamino)quinazoline-2-carboxamide
CID 173085941
2-[[4-(ethylamino)-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]oxy]ethyl acetate
CID 2055041

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide?
The IUPAC name of 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide (CID 647855) is 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide.
What is the SMILES notation for 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide?
The canonical SMILES for 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide is CC(C)Nc1nc(NC(C)C)nc(C(N)=O)n1.
What is the InChIKey of 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide?
The InChIKey is HPQPVSNCLXSJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-5(2)12-9-14-8(7(11)17)15-10(16-9)13-6(3)4/h5-6H,1-4H3,(H2,11,17)(H2,12,13,14,15,16).
What are the key properties of 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide?
4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(propan-2-ylamino)-1,3,5-triazine-2-carboxamide is sourced from PubChem (CID 647855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).