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

C21H20N4 — CID 110430982

IUPACN-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc(Nc2nc(-c3ccccc3)nc3[nH]c(C)cc23)cc1
InChIInChI=1S/C21H20N4/c1-3-15-9-11-17(12-10-15)23-21-18-13-14(2)22-20(18)24-19(25-21)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H2,22,23,24,25)
InChIKeyKJOZBXSQDZODNW-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.24
Rot. Bonds4

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

N-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110430982) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110430982
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC NameN-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc(Nc2nc(-c3ccccc3)nc3[nH]c(C)cc23)cc1
InChIInChI=1S/C21H20N4/c1-3-15-9-11-17(12-10-15)23-21-18-13-14(2)22-20(18)24-19(25-21)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H2,22,23,24,25)
InChIKeyKJOZBXSQDZODNW-UHFFFAOYSA-N
XLogP5.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431209
N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430534
2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 110431153
4-chloro-2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenol
CID 110431245
N-(3-methoxypropyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430658
6-methyl-N-phenyl-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430600
2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid
CID 110431099
4-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 110430519
4-(2-ethylimidazol-1-yl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 110430714
2-(4-anilino-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl acetate
CID 164518732
butyl 4-[(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 110431097

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110430982) is N-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCc1ccc(Nc2nc(-c3ccccc3)nc3[nH]c(C)cc23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is KJOZBXSQDZODNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-3-15-9-11-17(12-10-15)23-21-18-13-14(2)22-20(18)24-19(25-21)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3,(H2,22,23,24,25).
What are the key properties of N-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 328.42 g/mol, XLogP of 5.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110430982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).