N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C20H17ClN4 — CID 110431209

IUPACN-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3cc(Cl)ccc3C)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C20H17ClN4/c1-12-8-9-15(21)11-17(12)23-20-16-10-13(2)22-19(16)24-18(25-20)14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,22,23,24,25)
InChIKeyTWLWZTZTIGAMOZ-UHFFFAOYSA-N
MW348.84 g/mol
LogP5.64
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110431209) has the molecular formula C20H17ClN4 and a molecular weight of 348.84 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110431209
Molecular FormulaC20H17ClN4
Molecular Weight348.84 g/mol
Exact Mass348.11
IUPAC NameN-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3cc(Cl)ccc3C)nc(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C20H17ClN4/c1-12-8-9-15(21)11-17(12)23-20-16-10-13(2)22-19(16)24-18(25-20)14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,22,23,24,25)
InChIKeyTWLWZTZTIGAMOZ-UHFFFAOYSA-N
XLogP5.64
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.84
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol
CID 110431245
N-(2,6-difluorophenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431076
N-(5-chloro-2-methylphenyl)-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91960897
2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 110431153
N-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430982
2,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430273
2-(3-chlorophenyl)-N,N-diethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430830
N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430534
3-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-4-methylbenzoic acid
CID 110430640
2-(3-chlorophenyl)-6-methyl-N-pentyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430988
N-(3-methoxypropyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430658
4-chloro-2-[(2-phenylquinazolin-4-yl)amino]phenol;hydrochloride
CID 18593652

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110431209) is N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc2c(Nc3cc(Cl)ccc3C)nc(-c3ccccc3)nc2[nH]1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is TWLWZTZTIGAMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4/c1-12-8-9-15(21)11-17(12)23-20-16-10-13(2)22-19(16)24-18(25-20)14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,22,23,24,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 348.84 g/mol, XLogP of 5.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110431209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).