4-(2-methyl-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine

C15H18N4 — CID 11499821

IUPAC4-(2-methyl-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCN1CCC2C(c3ncnc4[nH]ccc34)=CCC2C1
InChIInChI=1S/C15H18N4/c1-19-7-5-11-10(8-19)2-3-12(11)14-13-4-6-16-15(13)18-9-17-14/h3-4,6,9-11H,2,5,7-8H2,1H3,(H,16,17,18)
InChIKeyYPXSLGBIIDINNJ-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.31
Rot. Bonds1

About 4-(2-methyl-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine

4-(2-methyl-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 11499821) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-(2-methyl-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methyl-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID11499821
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-(2-methyl-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCN1CCC2C(c3ncnc4[nH]ccc34)=CCC2C1
InChIInChI=1S/C15H18N4/c1-19-7-5-11-10(8-19)2-3-12(11)14-13-4-6-16-15(13)18-9-17-14/h3-4,6,9-11H,2,5,7-8H2,1H3,(H,16,17,18)
InChIKeyYPXSLGBIIDINNJ-UHFFFAOYSA-N
XLogP2.31
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11637434
4-(2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11665884
4-(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11506874
4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167838700
ethyl 4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3,3a,6,7,7a-hexahydroindole-1-carboxylate
CID 11702358
N-[(3aS,6aR)-2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 155773580
(3aR,7aS)-5-methyl-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138386678
4-[1-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 142744353
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
1-cyclopropyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 139013262
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;hydrobromide
CID 158942774
2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
CID 18008420

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(2-methyl-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 11499821) is 4-(2-methyl-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-methyl-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-methyl-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine is CN1CCC2C(c3ncnc4[nH]ccc34)=CCC2C1.
What is the InChIKey of 4-(2-methyl-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is YPXSLGBIIDINNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-19-7-5-11-10(8-19)2-3-12(11)14-13-4-6-16-15(13)18-9-17-14/h3-4,6,9-11H,2,5,7-8H2,1H3,(H,16,17,18).
What are the key properties of 4-(2-methyl-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(2-methyl-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 254.34 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 11499821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).