5-[(Z)-2-aminoethenyl]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-2,6-diamine

C13H18N6 — CID 143829611

IUPAC5-[(Z)-2-aminoethenyl]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-2,6-diamine
SMILESN/C=C\c1c(N)n(C2CCCC2)c2nc(N)ncc12
InChIInChI=1S/C13H18N6/c14-6-5-9-10-7-17-13(16)18-12(10)19(11(9)15)8-3-1-2-4-8/h5-8H,1-4,14-15H2,(H2,16,17,18)/b6-5-
InChIKeyGEJIFNXUUGJZLT-WAYWQWQTSA-N
MW258.33 g/mol
LogP1.64
Rot. Bonds2

About 5-[(Z)-2-aminoethenyl]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-2,6-diamine

5-[(Z)-2-aminoethenyl]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-2,6-diamine (PubChem CID 143829611) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 5-[(Z)-2-aminoethenyl]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-2,6-diamine.

Molecular Properties

Compound Name5-[(Z)-2-aminoethenyl]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-2,6-diamine
PubChem CID143829611
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name5-[(Z)-2-aminoethenyl]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-2,6-diamine
SMILESN/C=C\c1c(N)n(C2CCCC2)c2nc(N)ncc12
InChIInChI=1S/C13H18N6/c14-6-5-9-10-7-17-13(16)18-12(10)19(11(9)15)8-3-1-2-4-8/h5-8H,1-4,14-15H2,(H2,16,17,18)/b6-5-
InChIKeyGEJIFNXUUGJZLT-WAYWQWQTSA-N
XLogP1.64
TPSA108.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

7-cyclopentyl-6-[(dimethylamino)methoxymethyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 178155543
2-amino-8-cyclohexyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 70304240
3-cyclobutylimidazo[4,5-b]pyridin-2-amine
CID 79289020
1-cyclopentyl-4,5-dihydropyrazolo[4,5-h]quinazolin-8-amine
CID 142345879
2-amino-8-cyclopentyl-3H-pteridine-4,7-dione
CID 175977941
5-cyclohexylpyrrolo[2,3-b]pyrazin-6-amine
CID 118612825
2-amino-8-cyclopentyl-6-(2-methoxypyrimidin-5-yl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59259015
5-amino-8-cyclobutyl-6-methyl-2-[[(2R)-2-methylcyclohexyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 70952939
6-bromo-3-cyclobutylimidazo[4,5-b]pyridin-2-amine
CID 79306648
3-cycloheptyl-7-methylimidazo[4,5-b]pyridin-2-amine
CID 79288453
acetamide;5-amino-8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 143885415
2-amino-6-bromo-8-cyclobutyl-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 67240606

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-aminoethenyl]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-2,6-diamine?
The IUPAC name of 5-[(Z)-2-aminoethenyl]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-2,6-diamine (CID 143829611) is 5-[(Z)-2-aminoethenyl]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-2,6-diamine.
What is the SMILES notation for 5-[(Z)-2-aminoethenyl]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-2,6-diamine?
The canonical SMILES for 5-[(Z)-2-aminoethenyl]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-2,6-diamine is N/C=C\c1c(N)n(C2CCCC2)c2nc(N)ncc12.
What is the InChIKey of 5-[(Z)-2-aminoethenyl]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-2,6-diamine?
The InChIKey is GEJIFNXUUGJZLT-WAYWQWQTSA-N. The full InChI is InChI=1S/C13H18N6/c14-6-5-9-10-7-17-13(16)18-12(10)19(11(9)15)8-3-1-2-4-8/h5-8H,1-4,14-15H2,(H2,16,17,18)/b6-5-.
What are the key properties of 5-[(Z)-2-aminoethenyl]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-2,6-diamine?
5-[(Z)-2-aminoethenyl]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-2,6-diamine has a molecular weight of 258.33 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-aminoethenyl]-7-cyclopentylpyrrolo[2,3-d]pyrimidine-2,6-diamine is sourced from PubChem (CID 143829611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).