4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine

C14H16N4 — CID 133333971

IUPAC4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
SMILESCc1nc(-c2cccnc2)nc(N2CCC2)c1C
InChIInChI=1S/C14H16N4/c1-10-11(2)16-13(12-5-3-6-15-9-12)17-14(10)18-7-4-8-18/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyHQSLEVLVVPDANJ-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.37
Rot. Bonds2

About 4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine

4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine (PubChem CID 133333971) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
PubChem CID133333971
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine
SMILESCc1nc(-c2cccnc2)nc(N2CCC2)c1C
InChIInChI=1S/C14H16N4/c1-10-11(2)16-13(12-5-3-6-15-9-12)17-14(10)18-7-4-8-18/h3,5-6,9H,4,7-8H2,1-2H3
InChIKeyHQSLEVLVVPDANJ-UHFFFAOYSA-N
XLogP2.37
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine
CID 82169373
4,5-dimethyl-6-[4-(3-methylbutyl)piperazin-1-yl]-2-pyridin-3-ylpyrimidine
CID 133317098
4,5,6-trimethyl-2-pyridin-3-ylpyrimidine
CID 157011344
2-[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]propanamide
CID 133349720
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 133316654
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 133310277
[4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 133319218
N-(3,5-dimethoxyphenyl)-1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-4-amine
CID 133337542
4-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 133318469
ethyl N-[1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 133317426
ethyl 1-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
CID 133387241
4-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)-2-(5-methylfuran-2-yl)morpholine
CID 119039239

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine (CID 133333971) is 4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine is Cc1nc(-c2cccnc2)nc(N2CCC2)c1C.
What is the InChIKey of 4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine?
The InChIKey is HQSLEVLVVPDANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-11(2)16-13(12-5-3-6-15-9-12)17-14(10)18-7-4-8-18/h3,5-6,9H,4,7-8H2,1-2H3.
What are the key properties of 4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine?
4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine has a molecular weight of 240.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-1-yl)-5,6-dimethyl-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 133333971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).