6-chloro-N-(3-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine

C13H10Cl2N4 — CID 141179297

IUPAC6-chloro-N-(3-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCn1c(Cl)cc2ncnc(Nc3cccc(Cl)c3)c21
InChIInChI=1S/C13H10Cl2N4/c1-19-11(15)6-10-12(19)13(17-7-16-10)18-9-4-2-3-8(14)5-9/h2-7H,1H3,(H,16,17,18)
InChIKeyWZOYQVVVLCPOHG-UHFFFAOYSA-N
MW293.16 g/mol
LogP4.02
Rot. Bonds2

About 6-chloro-N-(3-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine

6-chloro-N-(3-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine (PubChem CID 141179297) has the molecular formula C13H10Cl2N4 and a molecular weight of 293.16 g/mol. Its IUPAC name is 6-chloro-N-(3-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
PubChem CID141179297
Molecular FormulaC13H10Cl2N4
Molecular Weight293.16 g/mol
Exact Mass292.03
IUPAC Name6-chloro-N-(3-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
SMILESCn1c(Cl)cc2ncnc(Nc3cccc(Cl)c3)c21
InChIInChI=1S/C13H10Cl2N4/c1-19-11(15)6-10-12(19)13(17-7-16-10)18-9-4-2-3-8(14)5-9/h2-7H,1H3,(H,16,17,18)
InChIKeyWZOYQVVVLCPOHG-UHFFFAOYSA-N
XLogP4.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
N-[4-[(2-amino-1-benzofuran-4-yl)oxy]-3-chlorophenyl]-6-chloro-5-methylpyrrolo[3,2-d]pyrimidin-4-amine
CID 70967000
6-chloro-5-methyl-N-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]phenyl]pyrrolo[3,2-d]pyrimidin-4-amine
CID 59453247
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
N-tert-butyl-3-[2-chloro-4-[(6-chloro-5-methylpyrrolo[3,2-d]pyrimidin-4-yl)amino]phenoxy]benzamide
CID 59453260
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 22460895
N-(3-chlorophenyl)-6-ethylquinazolin-4-amine
CID 21002612
8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride
CID 12806772
N-(3-chlorophenyl)-7-methoxy-6-methylquinazolin-4-amine
CID 163979167

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine (CID 141179297) is 6-chloro-N-(3-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine is Cn1c(Cl)cc2ncnc(Nc3cccc(Cl)c3)c21.
What is the InChIKey of 6-chloro-N-(3-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
The InChIKey is WZOYQVVVLCPOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4/c1-19-11(15)6-10-12(19)13(17-7-16-10)18-9-4-2-3-8(14)5-9/h2-7H,1H3,(H,16,17,18).
What are the key properties of 6-chloro-N-(3-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine?
6-chloro-N-(3-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine has a molecular weight of 293.16 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-chlorophenyl)-5-methylpyrrolo[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 141179297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).