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

C10H16N6O — CID 112746320

IUPAC2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCc1nc(N)nc(NCC(=O)N2CCCC2)n1
InChIInChI=1S/C10H16N6O/c1-7-13-9(11)15-10(14-7)12-6-8(17)16-4-2-3-5-16/h2-6H2,1H3,(H3,11,12,13,14,15)
InChIKeyCYLAVMRNIHRLDB-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.20
Rot. Bonds3

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

2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 112746320) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID112746320
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCc1nc(N)nc(NCC(=O)N2CCCC2)n1
InChIInChI=1S/C10H16N6O/c1-7-13-9(11)15-10(14-7)12-6-8(17)16-4-2-3-5-16/h2-6H2,1H3,(H3,11,12,13,14,15)
InChIKeyCYLAVMRNIHRLDB-UHFFFAOYSA-N
XLogP-0.20
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-N-propylacetamide
CID 72115341
N-ethyl-4-(ethylamino)-6-methyl-1,3,5-triazine-2-carboxamide
CID 76316489
2-[(4-amino-6-tert-butyl-1,3,5-triazin-2-yl)-methylamino]-N,N-diethylacetamide
CID 132312840
[4-Amino-6-(cyclohexylamino)-1,3,5-triazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134914238
2,4-Diamino-6-methyl-1,3,5-triazine-N-methylpyrrolidin-2-one (1/1)
CID 139062113
4-(4-Amino-6-methyl-s-triazin-2-yl)-2-piperazinone
CID 16206908
3,3,3-trifluoro-N-((4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl)methyl)propanamide
CID 121137676
N-((4-(dimethylamino)-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl)methyl)-3,3,3-trifluoropropanamide
CID 121137996
4-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]piperazin-2-one
CID 17557132
3-[(4,6-Diamino-1,3,5-triazin-2-yl)methyl]-5-propylimidazolidine-2,4-dione
CID 22108669
2,4,6-Tri(butylcarbamoyl)-1,3,5-triazine
CID 12040478
3-[2-(4,6-Diamino-1,3,5-triazin-2-yl)ethyl]-3-propan-2-ylimidazolidin-3-ium-2,4-dione
CID 21091287

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone (CID 112746320) is 2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone is Cc1nc(N)nc(NCC(=O)N2CCCC2)n1.
What is the InChIKey of 2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is CYLAVMRNIHRLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c1-7-13-9(11)15-10(14-7)12-6-8(17)16-4-2-3-5-16/h2-6H2,1H3,(H3,11,12,13,14,15).
What are the key properties of 2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 236.28 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 112746320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).