2-methyl-4-[3-(4-methylpyrimidin-2-yl)azetidin-1-yl]pyrimidine

C13H15N5 — CID 95841766

IUPAC2-methyl-4-[3-(4-methylpyrimidin-2-yl)azetidin-1-yl]pyrimidine
SMILESCc1ccnc(C2CN(c3ccnc(C)n3)C2)n1
InChIInChI=1S/C13H15N5/c1-9-3-5-15-13(16-9)11-7-18(8-11)12-4-6-14-10(2)17-12/h3-6,11H,7-8H2,1-2H3
InChIKeyCRIPQWPUGLDOEY-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.49
Rot. Bonds2

About 2-methyl-4-[3-(4-methylpyrimidin-2-yl)azetidin-1-yl]pyrimidine

2-methyl-4-[3-(4-methylpyrimidin-2-yl)azetidin-1-yl]pyrimidine (PubChem CID 95841766) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-methyl-4-[3-(4-methylpyrimidin-2-yl)azetidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[3-(4-methylpyrimidin-2-yl)azetidin-1-yl]pyrimidine
PubChem CID95841766
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name2-methyl-4-[3-(4-methylpyrimidin-2-yl)azetidin-1-yl]pyrimidine
SMILESCc1ccnc(C2CN(c3ccnc(C)n3)C2)n1
InChIInChI=1S/C13H15N5/c1-9-3-5-15-13(16-9)11-7-18(8-11)12-4-6-14-10(2)17-12/h3-6,11H,7-8H2,1-2H3
InChIKeyCRIPQWPUGLDOEY-UHFFFAOYSA-N
XLogP1.49
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methylpyrimidine-2-carbonitrile
CID 12684324
N,N,4-trimethylpyrimidin-2-amine
CID 21783318
Pyrimidine, 2,4-dimethyl-
CID 139742
N~2~,N~2~,N~4~,5,6-pentamethyl-N~4~-(pyrazin-2-ylmethyl)pyrimidine-2,4-diamine
CID 50955144
N,N,6-trimethyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 53565265
4-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-6-methylpyrimidin-2-amine
CID 56711018
2-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-N,N-dimethylpyrimidin-4-amine
CID 56749000
4-Methyl-2-(1-pyrimidin-2-ylazetidin-3-yl)pyrimidine
CID 73439109
4,6-Dimethyl-2-[1-(2-methylpyrimidin-4-yl)pyrrolidin-2-yl]pyrimidine
CID 110257118
4,6-Dimethyl-2-(1-pyrimidin-4-ylpyrrolidin-3-yl)pyrimidine
CID 110269098
N,N,2-trimethyl-6-(1-pyrimidin-2-ylazetidin-2-yl)pyrimidin-4-amine
CID 110271703
2-Methyl-4-[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]pyrimidine
CID 118740019

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(4-methylpyrimidin-2-yl)azetidin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-[3-(4-methylpyrimidin-2-yl)azetidin-1-yl]pyrimidine (CID 95841766) is 2-methyl-4-[3-(4-methylpyrimidin-2-yl)azetidin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-[3-(4-methylpyrimidin-2-yl)azetidin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-[3-(4-methylpyrimidin-2-yl)azetidin-1-yl]pyrimidine is Cc1ccnc(C2CN(c3ccnc(C)n3)C2)n1.
What is the InChIKey of 2-methyl-4-[3-(4-methylpyrimidin-2-yl)azetidin-1-yl]pyrimidine?
The InChIKey is CRIPQWPUGLDOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-9-3-5-15-13(16-9)11-7-18(8-11)12-4-6-14-10(2)17-12/h3-6,11H,7-8H2,1-2H3.
What are the key properties of 2-methyl-4-[3-(4-methylpyrimidin-2-yl)azetidin-1-yl]pyrimidine?
2-methyl-4-[3-(4-methylpyrimidin-2-yl)azetidin-1-yl]pyrimidine has a molecular weight of 241.30 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(4-methylpyrimidin-2-yl)azetidin-1-yl]pyrimidine is sourced from PubChem (CID 95841766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).