6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine

C17H25N5 — CID 91960994

IUPAC6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCCC(C)C3)nc(N3CCCC3)nc2[nH]1
InChIInChI=1S/C17H25N5/c1-12-6-5-9-22(11-12)16-14-10-13(2)18-15(14)19-17(20-16)21-7-3-4-8-21/h10,12H,3-9,11H2,1-2H3,(H,18,19,20)
InChIKeyAKNCDKVOIMMFGG-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.10
Rot. Bonds2

About 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine

6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 91960994) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID91960994
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCc1cc2c(N3CCCC(C)C3)nc(N3CCCC3)nc2[nH]1
InChIInChI=1S/C17H25N5/c1-12-6-5-9-22(11-12)16-14-10-13(2)18-15(14)19-17(20-16)21-7-3-4-8-21/h10,12H,3-9,11H2,1-2H3,(H,18,19,20)
InChIKeyAKNCDKVOIMMFGG-UHFFFAOYSA-N
XLogP3.10
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine with MolForge

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Related Compounds

4-[6-methyl-4-(3-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 91961244
4-(azepan-1-yl)-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 91961000
4-[6-methyl-4-(4-methylpiperidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]morpholine
CID 91961246
ethyl 1-(6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 91960999
4-(azepan-1-yl)-2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 110430224
4-methyl-6-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112909491
ethyl 1-[2-(dimethylamino)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxylate
CID 91960758
4-(3,5-dimethylpiperidin-1-yl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 91960726
(3-methylpiperidin-1-yl)-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109321612
N-(3,4-difluorophenyl)-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91960952
N-(5-chloro-2-methylphenyl)-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91960897
N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]-6-methyl-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 91960829

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine (CID 91960994) is 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine is Cc1cc2c(N3CCCC(C)C3)nc(N3CCCC3)nc2[nH]1.
What is the InChIKey of 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is AKNCDKVOIMMFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-12-6-5-9-22(11-12)16-14-10-13(2)18-15(14)19-17(20-16)21-7-3-4-8-21/h10,12H,3-9,11H2,1-2H3,(H,18,19,20).
What are the key properties of 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine?
6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 299.42 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(3-methylpiperidin-1-yl)-2-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 91960994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).