[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-pyrrolidin-1-ylmethanone

C14H22N6O — CID 134914238

IUPAC[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESNc1nc(NC2CCCCC2)nc(C(=O)N2CCCC2)n1
InChIInChI=1S/C14H22N6O/c15-13-17-11(12(21)20-8-4-5-9-20)18-14(19-13)16-10-6-2-1-3-7-10/h10H,1-9H2,(H3,15,16,17,18,19)
InChIKeyLRSSQPOOGOYRIP-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.43
Rot. Bonds3

About [4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-pyrrolidin-1-ylmethanone

[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134914238) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is [4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID134914238
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESNc1nc(NC2CCCCC2)nc(C(=O)N2CCCC2)n1
InChIInChI=1S/C14H22N6O/c15-13-17-11(12(21)20-8-4-5-9-20)18-14(19-13)16-10-6-2-1-3-7-10/h10H,1-9H2,(H3,15,16,17,18,19)
InChIKeyLRSSQPOOGOYRIP-UHFFFAOYSA-N
XLogP1.43
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-[2-(2-methylpiperidin-1-yl)ethyl]-1,2,4-triazole-3-carboxamide
CID 119036946
3-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]-5-propylimidazolidine-2,4-dione
CID 22108669
[1,3,5]Triazine-2-carboxylic acid, 4-ethylamino-6-piperidin-1-yl-, amide
CID 672103
N-cyclohexyl-5-(dimethylamino)-4-methyl-1,2,4-triazole-3-carboxamide
CID 14772864
2-(tert-butylamino)-N-[2-[cyclohexyl-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)propan-2-yl]amino]ethyl]-2-methylpropanamide
CID 142081502
2-N,4-N,6-N-tricyclohexyl-1,3,5-triazine-2,4,6-tricarboxamide
CID 171722698
2-[1-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 18124598
(5S)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-propylimidazolidine-2,4-dione
CID 26008028
(5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-propylimidazolidine-2,4-dione
CID 26008029
5-methyl-N-(piperidin-2-ylmethyl)-1,2,4-oxadiazole-3-carboxamide
CID 64339817
N,5-dimethyl-N-piperidin-3-yl-1,2,4-oxadiazole-3-carboxamide
CID 64339821
N-ethyl-5-methyl-N-piperidin-3-yl-1,2,4-oxadiazole-3-carboxamide
CID 64340015

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-pyrrolidin-1-ylmethanone (CID 134914238) is [4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-pyrrolidin-1-ylmethanone is Nc1nc(NC2CCCCC2)nc(C(=O)N2CCCC2)n1.
What is the InChIKey of [4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LRSSQPOOGOYRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c15-13-17-11(12(21)20-8-4-5-9-20)18-14(19-13)16-10-6-2-1-3-7-10/h10H,1-9H2,(H3,15,16,17,18,19).
What are the key properties of [4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-pyrrolidin-1-ylmethanone?
[4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 290.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134914238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).