2-(azetidin-3-yl)-4-(2,4,6-trimethylphenyl)pyrimidine

C16H19N3 — CID 116898704

IUPAC2-(azetidin-3-yl)-4-(2,4,6-trimethylphenyl)pyrimidine
SMILESCc1cc(C)c(-c2ccnc(C3CNC3)n2)c(C)c1
InChIInChI=1S/C16H19N3/c1-10-6-11(2)15(12(3)7-10)14-4-5-18-16(19-14)13-8-17-9-13/h4-7,13,17H,8-9H2,1-3H3
InChIKeyUCCZJFNGAMRIMV-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.76
Rot. Bonds2

About 2-(azetidin-3-yl)-4-(2,4,6-trimethylphenyl)pyrimidine

2-(azetidin-3-yl)-4-(2,4,6-trimethylphenyl)pyrimidine (PubChem CID 116898704) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-(2,4,6-trimethylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-(2,4,6-trimethylphenyl)pyrimidine
PubChem CID116898704
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-(azetidin-3-yl)-4-(2,4,6-trimethylphenyl)pyrimidine
SMILESCc1cc(C)c(-c2ccnc(C3CNC3)n2)c(C)c1
InChIInChI=1S/C16H19N3/c1-10-6-11(2)15(12(3)7-10)14-4-5-18-16(19-14)13-8-17-9-13/h4-7,13,17H,8-9H2,1-3H3
InChIKeyUCCZJFNGAMRIMV-UHFFFAOYSA-N
XLogP2.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine
CID 116898708
2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine
CID 116898685
2-(azetidin-3-yl)-4-(3,4-dimethylphenyl)pyrimidine
CID 116898684
2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride
CID 71298998
2-(azetidin-3-yl)-4-(2-methoxy-5-methylphenyl)pyrimidine
CID 116898690
2-(azetidin-3-yl)-4-(4-methoxy-2,5-dimethylphenyl)pyrimidine
CID 116898706
5-[2-(azetidin-3-yl)pyrimidin-4-yl]-2-methyl-1,3-benzoxazole
CID 116898738
N-methyl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine
CID 63550138
4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898808
2-(azetidin-3-yl)-4-(2,4-difluorophenyl)pyrimidine
CID 116898716
2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-2-ol
CID 116902051
2-(2-chloroethyl)-4-(2,4,6-trimethylphenyl)pyrimidine
CID 116899345

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-4-(2,4,6-trimethylphenyl)pyrimidine?
The IUPAC name of 2-(azetidin-3-yl)-4-(2,4,6-trimethylphenyl)pyrimidine (CID 116898704) is 2-(azetidin-3-yl)-4-(2,4,6-trimethylphenyl)pyrimidine.
What is the SMILES notation for 2-(azetidin-3-yl)-4-(2,4,6-trimethylphenyl)pyrimidine?
The canonical SMILES for 2-(azetidin-3-yl)-4-(2,4,6-trimethylphenyl)pyrimidine is Cc1cc(C)c(-c2ccnc(C3CNC3)n2)c(C)c1.
What is the InChIKey of 2-(azetidin-3-yl)-4-(2,4,6-trimethylphenyl)pyrimidine?
The InChIKey is UCCZJFNGAMRIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-10-6-11(2)15(12(3)7-10)14-4-5-18-16(19-14)13-8-17-9-13/h4-7,13,17H,8-9H2,1-3H3.
What are the key properties of 2-(azetidin-3-yl)-4-(2,4,6-trimethylphenyl)pyrimidine?
2-(azetidin-3-yl)-4-(2,4,6-trimethylphenyl)pyrimidine has a molecular weight of 253.35 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-4-(2,4,6-trimethylphenyl)pyrimidine is sourced from PubChem (CID 116898704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).