7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine

C13H17N5 — CID 155723183

IUPAC7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN1CC=C(c2cn(C)c3ncnc(N)c23)CC1
InChIInChI=1S/C13H17N5/c1-17-5-3-9(4-6-17)10-7-18(2)13-11(10)12(14)15-8-16-13/h3,7-8H,4-6H2,1-2H3,(H2,14,15,16)
InChIKeyLPLQHZMRZFQZBR-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.27
Rot. Bonds1

About 7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine

7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 155723183) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID155723183
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN1CC=C(c2cn(C)c3ncnc(N)c23)CC1
InChIInChI=1S/C13H17N5/c1-17-5-3-9(4-6-17)10-7-18(2)13-11(10)12(14)15-8-16-13/h3,7-8H,4-6H2,1-2H3,(H2,14,15,16)
InChIKeyLPLQHZMRZFQZBR-UHFFFAOYSA-N
XLogP1.27
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

3-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)aniline
CID 171834729
5-(4-amino-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 135198115
[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)phenyl] carbamate
CID 155108832
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-(2,5-dimethylphenyl)ethanone
CID 53468253
5-(3-aminoprop-1-ynyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 138465830
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-4-fluoro-2,3-dihydroindol-1-yl]-2-(4-fluorophenyl)ethanone
CID 53469264
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidine
CID 20718034
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-2-(3,5-dichlorophenyl)ethanone
CID 66823605
1-[4-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-3-(4-methylphenyl)urea
CID 166025001
N-[1-methyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-6-yl]hydroxylamine
CID 89109951
5-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]pyrazin-2-amine
CID 139409374
4-(4-chloro-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)aniline
CID 122512826

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 155723183) is 7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine is CN1CC=C(c2cn(C)c3ncnc(N)c23)CC1.
What is the InChIKey of 7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is LPLQHZMRZFQZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-17-5-3-9(4-6-17)10-7-18(2)13-11(10)12(14)15-8-16-13/h3,7-8H,4-6H2,1-2H3,(H2,14,15,16).
What are the key properties of 7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine?
7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 243.31 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155723183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).