4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C14H23ClN6 — CID 62870417

IUPAC4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCN1CCCC1CNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C14H23ClN6/c1-2-20-9-5-6-11(20)10-16-13-17-12(15)18-14(19-13)21-7-3-4-8-21/h11H,2-10H2,1H3,(H,16,17,18,19)
InChIKeyTYELIWAISRTCQW-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.02
Rot. Bonds5

About 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 62870417) has the molecular formula C14H23ClN6 and a molecular weight of 310.83 g/mol. Its IUPAC name is 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID62870417
Molecular FormulaC14H23ClN6
Molecular Weight310.83 g/mol
Exact Mass310.17
IUPAC Name4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCN1CCCC1CNc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C14H23ClN6/c1-2-20-9-5-6-11(20)10-16-13-17-12(15)18-14(19-13)21-7-3-4-8-21/h11H,2-10H2,1H3,(H,16,17,18,19)
InChIKeyTYELIWAISRTCQW-UHFFFAOYSA-N
XLogP2.02
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 62870417) is 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CCN1CCCC1CNc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is TYELIWAISRTCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN6/c1-2-20-9-5-6-11(20)10-16-13-17-12(15)18-14(19-13)21-7-3-4-8-21/h11H,2-10H2,1H3,(H,16,17,18,19).
What are the key properties of 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 310.83 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62870417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).