2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C15H26N6 — CID 80772042

IUPAC2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C15H26N6/c1-2-16-13-18-14(17-11-12-7-3-4-8-12)20-15(19-13)21-9-5-6-10-21/h12H,2-11H2,1H3,(H2,16,17,18,19,20)
InChIKeyYZFJGISETSOMBU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.51
Rot. Bonds6

About 2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80772042) has the molecular formula C15H26N6 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80772042
Molecular FormulaC15H26N6
Molecular Weight290.41 g/mol
Exact Mass290.22
IUPAC Name2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C15H26N6/c1-2-16-13-18-14(17-11-12-7-3-4-8-12)20-15(19-13)21-9-5-6-10-21/h12H,2-11H2,1H3,(H2,16,17,18,19,20)
InChIKeyYZFJGISETSOMBU-UHFFFAOYSA-N
XLogP2.51
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(cyclobutylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783502
4-N-ethyl-6-pyrrolidin-1-yl-2-N-(thiolan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 107298766
4-N-[(4-ethylcyclohexyl)methyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 142023617
4-cyclopentyloxy-N-ethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80844670
N-ethyl-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80932196
2-N-(cyclopentylmethyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80783826
2-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770376
2-N-(2,2-dimethylpropyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775565
N-ethyl-4-(3-methylpyrrolidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80797845
2-N-(cyclobutylmethyl)-4-N-ethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80782523
4-N-ethyl-2-N-(3-methylpentan-3-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 106332036
4-ethoxy-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80767228

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 80772042) is 2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCNc1nc(NCC2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of 2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is YZFJGISETSOMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6/c1-2-16-13-18-14(17-11-12-7-3-4-8-12)20-15(19-13)21-9-5-6-10-21/h12H,2-11H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 290.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclopentylmethyl)-4-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80772042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).