N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C15H18ClN5 — CID 62869660

IUPACN-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCN(Cc1ccccc1)c1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C15H18ClN5/c1-20(11-12-7-3-2-4-8-12)14-17-13(16)18-15(19-14)21-9-5-6-10-21/h2-4,7-8H,5-6,9-11H2,1H3
InChIKeyZSSVXGNWPRTEHN-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.76
Rot. Bonds4

About N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 62869660) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID62869660
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC NameN-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCN(Cc1ccccc1)c1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C15H18ClN5/c1-20(11-12-7-3-2-4-8-12)14-17-13(16)18-15(19-14)21-9-5-6-10-21/h2-4,7-8H,5-6,9-11H2,1H3
InChIKeyZSSVXGNWPRTEHN-UHFFFAOYSA-N
XLogP2.76
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 62869660) is N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CN(Cc1ccccc1)c1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ZSSVXGNWPRTEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c1-20(11-12-7-3-2-4-8-12)14-17-13(16)18-15(19-14)21-9-5-6-10-21/h2-4,7-8H,5-6,9-11H2,1H3.
What are the key properties of N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 303.80 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).