N-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

C13H11ClN4 — CID 110875081

IUPACN-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1ccc2c(Nc3ccccc3Cl)ncnc21
InChIInChI=1S/C13H11ClN4/c1-18-7-6-9-12(15-8-16-13(9)18)17-11-5-3-2-4-10(11)14/h2-8H,1H3,(H,15,16,17)
InChIKeyAMEVSQAETRYVFO-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.37
Rot. Bonds2

About N-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

N-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110875081) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is N-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110875081
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC NameN-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCn1ccc2c(Nc3ccccc3Cl)ncnc21
InChIInChI=1S/C13H11ClN4/c1-18-7-6-9-12(15-8-16-13(9)18)17-11-5-3-2-4-10(11)14/h2-8H,1H3,(H,15,16,17)
InChIKeyAMEVSQAETRYVFO-UHFFFAOYSA-N
XLogP3.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875105
N-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875091
N-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7688242
7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875068
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19147893
N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875056
N-(3-ethynylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 22460891
N-(2-chlorophenyl)-8-fluoroquinazolin-4-amine
CID 110434661
N-cyclobutyl-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 172901042
N-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875185
N-(2-chlorophenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80927802
6-N-butyl-4-N-(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19134851

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (CID 110875081) is N-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is Cn1ccc2c(Nc3ccccc3Cl)ncnc21.
What is the InChIKey of N-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is AMEVSQAETRYVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-18-7-6-9-12(15-8-16-13(9)18)17-11-5-3-2-4-10(11)14/h2-8H,1H3,(H,15,16,17).
What are the key properties of N-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
N-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 258.71 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110875081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).