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

C11H18N6O — CID 112746321

IUPAC2-[(4-amino-6-ethyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCCc1nc(N)nc(NCC(=O)N2CCCC2)n1
InChIInChI=1S/C11H18N6O/c1-2-8-14-10(12)16-11(15-8)13-7-9(18)17-5-3-4-6-17/h2-7H2,1H3,(H3,12,13,14,15,16)
InChIKeyKFTMNIFSSFSMQG-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.05
Rot. Bonds4

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

2-[(4-amino-6-ethyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 112746321) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-[(4-amino-6-ethyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(4-amino-6-ethyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID112746321
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name2-[(4-amino-6-ethyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESCCc1nc(N)nc(NCC(=O)N2CCCC2)n1
InChIInChI=1S/C11H18N6O/c1-2-8-14-10(12)16-11(15-8)13-7-9(18)17-5-3-4-6-17/h2-7H2,1H3,(H3,12,13,14,15,16)
InChIKeyKFTMNIFSSFSMQG-UHFFFAOYSA-N
XLogP0.05
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-ethyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(4-amino-6-ethyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone (CID 112746321) is 2-[(4-amino-6-ethyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(4-amino-6-ethyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(4-amino-6-ethyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone is CCc1nc(N)nc(NCC(=O)N2CCCC2)n1.
What is the InChIKey of 2-[(4-amino-6-ethyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is KFTMNIFSSFSMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-2-8-14-10(12)16-11(15-8)13-7-9(18)17-5-3-4-6-17/h2-7H2,1H3,(H3,12,13,14,15,16).
What are the key properties of 2-[(4-amino-6-ethyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[(4-amino-6-ethyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 250.31 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-ethyl-1,3,5-triazin-2-yl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 112746321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).