4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

C11H14N4 — CID 67251949

IUPAC4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC1CCCN1c1ncnc2[nH]ccc12
InChIInChI=1S/C11H14N4/c1-8-3-2-6-15(8)11-9-4-5-12-10(9)13-7-14-11/h4-5,7-8H,2-3,6H2,1H3,(H,12,13,14)
InChIKeyPFKOCKCPPMZYIV-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.95
Rot. Bonds1

About 4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 67251949) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID67251949
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC1CCCN1c1ncnc2[nH]ccc12
InChIInChI=1S/C11H14N4/c1-8-3-2-6-15(8)11-9-4-5-12-10(9)13-7-14-11/h4-5,7-8H,2-3,6H2,1H3,(H,12,13,14)
InChIKeyPFKOCKCPPMZYIV-UHFFFAOYSA-N
XLogP1.95
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-7H-pyrrolo[2,3-d]pyrimidine;hydrobromide
CID 158942774
4-(2,3,4-trimethylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 146076314
N,N-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 138993786
4-(2-methylazepan-1-yl)quinazolin-6-amine
CID 64589320
2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
CID 18008420
N,4-dimethyl-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine
CID 171995868
4-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 146084212
[(3aR,7aR)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,3a,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridin-4-yl]-pyridin-4-ylmethanone
CID 56967447
4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 178104944
4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167838700
[(6S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3,6-dihydro-2H-pyridin-6-yl]methanol
CID 175668023
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

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 67251949) is 4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is CC1CCCN1c1ncnc2[nH]ccc12.
What is the InChIKey of 4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is PFKOCKCPPMZYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8-3-2-6-15(8)11-9-4-5-12-10(9)13-7-14-11/h4-5,7-8H,2-3,6H2,1H3,(H,12,13,14).
What are the key properties of 4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 202.26 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 67251949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).