4-(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine

C13H16N4 — CID 11506874

IUPAC4-(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC1CN(C)CC=C1c1ncnc2[nH]ccc12
InChIInChI=1S/C13H16N4/c1-9-7-17(2)6-4-10(9)12-11-3-5-14-13(11)16-8-15-12/h3-5,8-9H,6-7H2,1-2H3,(H,14,15,16)
InChIKeyJSPLBDMDUXBUEW-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.92
Rot. Bonds1

About 4-(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine

4-(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 11506874) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID11506874
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name4-(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC1CN(C)CC=C1c1ncnc2[nH]ccc12
InChIInChI=1S/C13H16N4/c1-9-7-17(2)6-4-10(9)12-11-3-5-14-13(11)16-8-15-12/h3-5,8-9H,6-7H2,1-2H3,(H,14,15,16)
InChIKeyJSPLBDMDUXBUEW-UHFFFAOYSA-N
XLogP1.92
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methyl-1,3,4,4a,7,7a-hexahydrocyclopenta[c]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11499821
4-(1-methyl-2,3,4,4a,7,7a-hexahydrocyclopenta[b]pyridin-5-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11637434
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
4-(2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11665884
4-(4-ethyl-5-methylcyclohexa-1,3-dien-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 123284474
2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
CID 18008420
4-(2,3,4-trimethylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 146076314
4-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 167838700
4-[3-methyl-5-(4-methylphenyl)triazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 142744346
(2,6-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
CID 154744421
ethyl 4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3,3a,6,7,7a-hexahydroindole-1-carboxylate
CID 11702358
N-[(3R,5S)-5-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118115879

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 11506874) is 4-(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine is CC1CN(C)CC=C1c1ncnc2[nH]ccc12.
What is the InChIKey of 4-(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is JSPLBDMDUXBUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-9-7-17(2)6-4-10(9)12-11-3-5-14-13(11)16-8-15-12/h3-5,8-9H,6-7H2,1-2H3,(H,14,15,16).
What are the key properties of 4-(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 228.30 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 11506874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).