7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

C18H20N4 — CID 58015759

IUPAC7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1ccc(Nc2ncc3ccn(C4CCCC4)c3n2)cc1
InChIInChI=1S/C18H20N4/c1-13-6-8-15(9-7-13)20-18-19-12-14-10-11-22(17(14)21-18)16-4-2-3-5-16/h6-12,16H,2-5H2,1H3,(H,19,20,21)
InChIKeyFUQJABHAHRMYAX-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.60
Rot. Bonds3

About 7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine

7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 58015759) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID58015759
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1ccc(Nc2ncc3ccn(C4CCCC4)c3n2)cc1
InChIInChI=1S/C18H20N4/c1-13-6-8-15(9-7-13)20-18-19-12-14-10-11-22(17(14)21-18)16-4-2-3-5-16/h6-12,16H,2-5H2,1H3,(H,19,20,21)
InChIKeyFUQJABHAHRMYAX-UHFFFAOYSA-N
XLogP4.60
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Rolodine
CID 5359646
4-{Imidazo[1,2-a]pyrimidin-2-yl}aniline
CID 821089
CP-154526
CID 5311055
7-benzyl-5,6-dimethyl-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 3000181
3-[[4-(4-iodophenyl)-1-piperazinyl]methyl]-1H-Pyrrolo[2,3-b]pyridine
CID 6603897
4-(7-((Dimethylamino)methyl)-2-(4-fluorophenyl)imidazo(1,2-a)pyridin-3-yl)pyrimidin-2-amine
CID 10133248
5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
CID 135283800
3-bromo-6-phenyl-N-(pyrimidin-5-ylmethyl)imidazo[1,2-a]pyridin-8-amine
CID 10249182
4-(1H-Pyrrolo[2,3-B]pyridin-3-YL)pyrimidin-2-amine
CID 11637090
n-(2-(1h-Indol-3-yl)ethyl)-9-isopropyl-2-(5-methylpyridin-3-yl)-9h-purin-6-amine
CID 46216378
Cgp-62464
CID 354471

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine (CID 58015759) is 7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is Cc1ccc(Nc2ncc3ccn(C4CCCC4)c3n2)cc1.
What is the InChIKey of 7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is FUQJABHAHRMYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-13-6-8-15(9-7-13)20-18-19-12-14-10-11-22(17(14)21-18)16-4-2-3-5-16/h6-12,16H,2-5H2,1H3,(H,19,20,21).
What are the key properties of 7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine?
7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 292.39 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopentyl-N-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 58015759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).