7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

C18H20N4 — CID 54434264

IUPAC7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccccc1)cn2C1CCCCC1
InChIInChI=1S/C18H20N4/c19-17-16-15(13-7-3-1-4-8-13)11-22(18(16)21-12-20-17)14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H2,19,20,21)
InChIKeyWJQBYRAHFZAGCV-UHFFFAOYSA-N
MW292.39 g/mol
LogP4.19
Rot. Bonds2

About 7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine

7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 54434264) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID54434264
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(-c1ccccc1)cn2C1CCCCC1
InChIInChI=1S/C18H20N4/c19-17-16-15(13-7-3-1-4-8-13)11-22(18(16)21-12-20-17)14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H2,19,20,21)
InChIKeyWJQBYRAHFZAGCV-UHFFFAOYSA-N
XLogP4.19
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-aminopyrimidin-5-yl)-7-cyclopropylpyrrolo[2,3-d]pyrimidin-4-amine
CID 162364990
7-cyclohexyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine;ethane;1-methylpiperazine
CID 156857412
5-phenyl-7-(3-phenylmethoxycyclobutyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 54420151
7-(1-oxa-4-azaspiro[4.5]decan-7-yl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54377547
N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-4-phenylbenzenesulfinamide
CID 58089341
7-[1-(1-methylpiperidin-3-yl)piperidin-4-yl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156857198
ethyl 2-(7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 155926857
[1-amino-4-[4-amino-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexyl]methanol
CID 22736412
N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-tert-butylphenyl]benzenesulfonamide
CID 58089333
(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-(3-phenylphenyl)methanone
CID 67219744
7-cyclopentyl-5-(5-cyclopropyl-1,2-oxazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 139331158
7-cyclobutyl-5-(4-methyl-2-phenyl-3,8a-dihydroquinazolin-7-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 130349063

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine (CID 54434264) is 7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2c1c(-c1ccccc1)cn2C1CCCCC1.
What is the InChIKey of 7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is WJQBYRAHFZAGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c19-17-16-15(13-7-3-1-4-8-13)11-22(18(16)21-12-20-17)14-9-5-2-6-10-14/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H2,19,20,21).
What are the key properties of 7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine?
7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 292.39 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 54434264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).