6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine

C11H18ClN5 — CID 78926170

IUPAC6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
SMILESCN(CCN1CCCC1)c1cc(Cl)nc(N)n1
InChIInChI=1S/C11H18ClN5/c1-16(6-7-17-4-2-3-5-17)10-8-9(12)14-11(13)15-10/h8H,2-7H2,1H3,(H2,13,14,15)
InChIKeyMEWIQQBZCITARZ-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.24
Rot. Bonds4

About 6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine

6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine (PubChem CID 78926170) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
PubChem CID78926170
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine
SMILESCN(CCN1CCCC1)c1cc(Cl)nc(N)n1
InChIInChI=1S/C11H18ClN5/c1-16(6-7-17-4-2-3-5-17)10-8-9(12)14-11(13)15-10/h8H,2-7H2,1H3,(H2,13,14,15)
InChIKeyMEWIQQBZCITARZ-UHFFFAOYSA-N
XLogP1.24
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine (CID 78926170) is 6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine is CN(CCN1CCCC1)c1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is MEWIQQBZCITARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5/c1-16(6-7-17-4-2-3-5-17)10-8-9(12)14-11(13)15-10/h8H,2-7H2,1H3,(H2,13,14,15).
What are the key properties of 6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine?
6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 255.75 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 78926170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).