5-propan-2-yl-2-(3-propylazetidin-1-yl)pyrimidine

C13H21N3 — CID 170409803

IUPAC5-propan-2-yl-2-(3-propylazetidin-1-yl)pyrimidine
SMILESCCCC1CN(c2ncc(C(C)C)cn2)C1
InChIInChI=1S/C13H21N3/c1-4-5-11-8-16(9-11)13-14-6-12(7-15-13)10(2)3/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyPZOHIOUOTYADRD-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.84
Rot. Bonds4

About 5-propan-2-yl-2-(3-propylazetidin-1-yl)pyrimidine

5-propan-2-yl-2-(3-propylazetidin-1-yl)pyrimidine (PubChem CID 170409803) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 5-propan-2-yl-2-(3-propylazetidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-propan-2-yl-2-(3-propylazetidin-1-yl)pyrimidine
PubChem CID170409803
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name5-propan-2-yl-2-(3-propylazetidin-1-yl)pyrimidine
SMILESCCCC1CN(c2ncc(C(C)C)cn2)C1
InChIInChI=1S/C13H21N3/c1-4-5-11-8-16(9-11)13-14-6-12(7-15-13)10(2)3/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyPZOHIOUOTYADRD-UHFFFAOYSA-N
XLogP2.84
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
CID 170581879
1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-amine
CID 103278591
ethane;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 170578273
ethane;5-propan-2-yl-2-pyrrolidin-1-ylpyrimidine
CID 170578345
N-methyl-1-[1-(5-propan-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine
CID 116976203
2-piperazin-1-yl-5-propan-2-ylpyrimidine
CID 103278323
ethane;2-[4-(2-methylpropyl)piperazin-1-yl]-5-propan-2-ylpyrimidine
CID 168923399
3-butyl-1-(4-propan-2-ylphenyl)azetidine
CID 178164726
2-(4-methylsulfanylpiperazin-1-yl)-5-propan-2-ylpyrimidine
CID 170578460
bis[2-(3-aminoazetidin-1-yl)pyrimidin-5-yl]methanol;hydrochloride
CID 153410114
3-(1-methylazetidin-3-yl)-1-propan-2-ylpyrrolidine;5-propan-2-yl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 170578259
2-(1-pyrimidin-2-ylazetidin-3-yl)ethanamine
CID 130965270

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-2-(3-propylazetidin-1-yl)pyrimidine?
The IUPAC name of 5-propan-2-yl-2-(3-propylazetidin-1-yl)pyrimidine (CID 170409803) is 5-propan-2-yl-2-(3-propylazetidin-1-yl)pyrimidine.
What is the SMILES notation for 5-propan-2-yl-2-(3-propylazetidin-1-yl)pyrimidine?
The canonical SMILES for 5-propan-2-yl-2-(3-propylazetidin-1-yl)pyrimidine is CCCC1CN(c2ncc(C(C)C)cn2)C1.
What is the InChIKey of 5-propan-2-yl-2-(3-propylazetidin-1-yl)pyrimidine?
The InChIKey is PZOHIOUOTYADRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-4-5-11-8-16(9-11)13-14-6-12(7-15-13)10(2)3/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 5-propan-2-yl-2-(3-propylazetidin-1-yl)pyrimidine?
5-propan-2-yl-2-(3-propylazetidin-1-yl)pyrimidine has a molecular weight of 219.33 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-2-(3-propylazetidin-1-yl)pyrimidine is sourced from PubChem (CID 170409803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).