N-cyclohexyl-N-methyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine

C25H26N4 — CID 4200447

IUPACN-cyclohexyl-N-methyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)C1CCCCC1
InChIInChI=1S/C25H26N4/c1-28(20-13-7-3-8-14-20)24-23-22(19-11-5-2-6-12-19)17-29(25(23)27-18-26-24)21-15-9-4-10-16-21/h2,4-6,9-12,15-18,20H,3,7-8,13-14H2,1H3
InChIKeyFUZROXNVDNYGHE-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.86
Rot. Bonds4

About N-cyclohexyl-N-methyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine

N-cyclohexyl-N-methyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 4200447) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID4200447
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC NameN-cyclohexyl-N-methyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(c1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)C1CCCCC1
InChIInChI=1S/C25H26N4/c1-28(20-13-7-3-8-14-20)24-23-22(19-11-5-2-6-12-19)17-29(25(23)27-18-26-24)21-15-9-4-10-16-21/h2,4-6,9-12,15-18,20H,3,7-8,13-14H2,1H3
InChIKeyFUZROXNVDNYGHE-UHFFFAOYSA-N
XLogP5.86
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
CP-154526
CID 5311055
7-benzyl-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 3000181
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
3-(Diphenylphosphinothioyl)-2-methyl-1-[(2E)-3-phenyl-2-propen-1-yl]imidazo[1,2-a]pyridiniumbromide
CID 46930969
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 10537176
Cgp-62464
CID 354471
7-(4-fluorophenyl)-N-(2-methylphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 3257208
3,7-Diphenylimidazo[1,2-a]pyridine
CID 5329339
7-Phenyl-3-(pyridin-4-yl)imidazo[1,2-a]pyridine
CID 5329340
Imidazopyridine 10b
CID 5329341

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-N-methyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 4200447) is N-cyclohexyl-N-methyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-N-methyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-N-methyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine is CN(c1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FUZROXNVDNYGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-28(20-13-7-3-8-14-20)24-23-22(19-11-5-2-6-12-19)17-29(25(23)27-18-26-24)21-15-9-4-10-16-21/h2,4-6,9-12,15-18,20H,3,7-8,13-14H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine?
N-cyclohexyl-N-methyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 382.51 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-5,7-diphenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4200447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).