4-methyl-2-(1-pyrimidin-2-ylazetidin-3-yl)pyrimidine

C12H13N5 — CID 73439109

IUPAC4-methyl-2-(1-pyrimidin-2-ylazetidin-3-yl)pyrimidine
SMILESCc1ccnc(C2CN(c3ncccn3)C2)n1
InChIInChI=1S/C12H13N5/c1-9-3-6-13-11(16-9)10-7-17(8-10)12-14-4-2-5-15-12/h2-6,10H,7-8H2,1H3
InChIKeyJRFHETFBISGMGA-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.18
Rot. Bonds2

About 4-methyl-2-(1-pyrimidin-2-ylazetidin-3-yl)pyrimidine

4-methyl-2-(1-pyrimidin-2-ylazetidin-3-yl)pyrimidine (PubChem CID 73439109) has the molecular formula C12H13N5 and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-methyl-2-(1-pyrimidin-2-ylazetidin-3-yl)pyrimidine.

Molecular Properties

Compound Name4-methyl-2-(1-pyrimidin-2-ylazetidin-3-yl)pyrimidine
PubChem CID73439109
Molecular FormulaC12H13N5
Molecular Weight227.27 g/mol
Exact Mass227.12
IUPAC Name4-methyl-2-(1-pyrimidin-2-ylazetidin-3-yl)pyrimidine
SMILESCc1ccnc(C2CN(c3ncccn3)C2)n1
InChIInChI=1S/C12H13N5/c1-9-3-6-13-11(16-9)10-7-17(8-10)12-14-4-2-5-15-12/h2-6,10H,7-8H2,1H3
InChIKeyJRFHETFBISGMGA-UHFFFAOYSA-N
XLogP1.18
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1-pyrimidin-2-ylazetidin-3-yl)pyrimidine?
The IUPAC name of 4-methyl-2-(1-pyrimidin-2-ylazetidin-3-yl)pyrimidine (CID 73439109) is 4-methyl-2-(1-pyrimidin-2-ylazetidin-3-yl)pyrimidine.
What is the SMILES notation for 4-methyl-2-(1-pyrimidin-2-ylazetidin-3-yl)pyrimidine?
The canonical SMILES for 4-methyl-2-(1-pyrimidin-2-ylazetidin-3-yl)pyrimidine is Cc1ccnc(C2CN(c3ncccn3)C2)n1.
What is the InChIKey of 4-methyl-2-(1-pyrimidin-2-ylazetidin-3-yl)pyrimidine?
The InChIKey is JRFHETFBISGMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5/c1-9-3-6-13-11(16-9)10-7-17(8-10)12-14-4-2-5-15-12/h2-6,10H,7-8H2,1H3.
What are the key properties of 4-methyl-2-(1-pyrimidin-2-ylazetidin-3-yl)pyrimidine?
4-methyl-2-(1-pyrimidin-2-ylazetidin-3-yl)pyrimidine has a molecular weight of 227.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-pyrimidin-2-ylazetidin-3-yl)pyrimidine is sourced from PubChem (CID 73439109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).