4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

C17H19Cl2N5 — CID 16667002

IUPAC4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cnc(Cn2cc(C(C)C)c3c(Cl)nc(N)nc32)c(C)c1Cl
InChIInChI=1S/C17H19Cl2N5/c1-8(2)11-6-24(16-13(11)15(19)22-17(20)23-16)7-12-10(4)14(18)9(3)5-21-12/h5-6,8H,7H2,1-4H3,(H2,20,22,23)
InChIKeyLTBVEWCQFIZGSO-UHFFFAOYSA-N
MW364.28 g/mol
LogP4.50
Rot. Bonds3

About 4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 16667002) has the molecular formula C17H19Cl2N5 and a molecular weight of 364.28 g/mol. Its IUPAC name is 4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID16667002
Molecular FormulaC17H19Cl2N5
Molecular Weight364.28 g/mol
Exact Mass363.10
IUPAC Name4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1cnc(Cn2cc(C(C)C)c3c(Cl)nc(N)nc32)c(C)c1Cl
InChIInChI=1S/C17H19Cl2N5/c1-8(2)11-6-24(16-13(11)15(19)22-17(20)23-16)7-12-10(4)14(18)9(3)5-21-12/h5-6,8H,7H2,1-4H3,(H2,20,22,23)
InChIKeyLTBVEWCQFIZGSO-UHFFFAOYSA-N
XLogP4.50
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-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 4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (CID 16667002) is 4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is Cc1cnc(Cn2cc(C(C)C)c3c(Cl)nc(N)nc32)c(C)c1Cl.
What is the InChIKey of 4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is LTBVEWCQFIZGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N5/c1-8(2)11-6-24(16-13(11)15(19)22-17(20)23-16)7-12-10(4)14(18)9(3)5-21-12/h5-6,8H,7H2,1-4H3,(H2,20,22,23).
What are the key properties of 4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 364.28 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[(4-chloro-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 16667002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).