2-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine

C15H16ClN7 — CID 86692141

IUPAC2-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCN(c1ccnc(Cl)n1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C15H16ClN7/c1-22(12-3-6-18-15(16)21-12)10-4-7-23(8-10)14-11-2-5-17-13(11)19-9-20-14/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,17,19,20)/t10-/m1/s1
InChIKeyKZTYLBQIWZBZGN-SNVBAGLBSA-N
MW329.80 g/mol
LogP2.12
Rot. Bonds3

About 2-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine

2-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 86692141) has the molecular formula C15H16ClN7 and a molecular weight of 329.80 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID86692141
Molecular FormulaC15H16ClN7
Molecular Weight329.80 g/mol
Exact Mass329.12
IUPAC Name2-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCN(c1ccnc(Cl)n1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C15H16ClN7/c1-22(12-3-6-18-15(16)21-12)10-4-7-23(8-10)14-11-2-5-17-13(11)19-9-20-14/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,17,19,20)/t10-/m1/s1
InChIKeyKZTYLBQIWZBZGN-SNVBAGLBSA-N
XLogP2.12
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine 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 2-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine (CID 86692141) is 2-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine is CN(c1ccnc(Cl)n1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1.
What is the InChIKey of 2-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is KZTYLBQIWZBZGN-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16ClN7/c1-22(12-3-6-18-15(16)21-12)10-4-7-23(8-10)14-11-2-5-17-13(11)19-9-20-14/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,17,19,20)/t10-/m1/s1.
What are the key properties of 2-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine?
2-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 329.80 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 86692141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).