1-(4-propylpyrimidin-2-yl)propan-2-one

C10H14N2O — CID 116901542

IUPAC1-(4-propylpyrimidin-2-yl)propan-2-one
SMILESCCCc1ccnc(CC(C)=O)n1
InChIInChI=1S/C10H14N2O/c1-3-4-9-5-6-11-10(12-9)7-8(2)13/h5-6H,3-4,7H2,1-2H3
InChIKeyAXOJLTGFOIFILX-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.56
Rot. Bonds4

About 1-(4-propylpyrimidin-2-yl)propan-2-one

1-(4-propylpyrimidin-2-yl)propan-2-one (PubChem CID 116901542) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-(4-propylpyrimidin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-propylpyrimidin-2-yl)propan-2-one
PubChem CID116901542
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-(4-propylpyrimidin-2-yl)propan-2-one
SMILESCCCc1ccnc(CC(C)=O)n1
InChIInChI=1S/C10H14N2O/c1-3-4-9-5-6-11-10(12-9)7-8(2)13/h5-6H,3-4,7H2,1-2H3
InChIKeyAXOJLTGFOIFILX-UHFFFAOYSA-N
XLogP1.56
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azane;2,4-dipropylpyrimidine
CID 174500974
N-ethyl-3-(4-propylpyrimidin-2-yl)propanamide
CID 71109501
4-butyl-2-propylpyrimidine
CID 20597890
(Z)-6-butyl-5-[(4-propylpyrimidin-2-yl)methyl]dec-4-en-3-one;ethane
CID 142120524
2-(2-propylpyrimidin-4-yl)ethanamine
CID 62744687
2-(3-methylhexyl)-4-propylpyrimidine
CID 142121373
2-methyl-3-(4-propylpyrimidin-2-yl)propan-1-amine
CID 116898245
disodium;2-[2-(carboxylatomethyl)pyrimidin-4-yl]acetate
CID 141080990
1-[4-(4-fluorophenyl)pyrimidin-2-yl]propan-2-one
CID 116901555
methyl 2-methyl-2-(4-propylpyrimidin-2-yl)propanoate
CID 116901340
2-propan-2-yl-4-propylpyrimidine
CID 58111235
1-(2-methylsulfanylpyrimidin-4-yl)propan-2-one
CID 59606606

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylpyrimidin-2-yl)propan-2-one?
The IUPAC name of 1-(4-propylpyrimidin-2-yl)propan-2-one (CID 116901542) is 1-(4-propylpyrimidin-2-yl)propan-2-one.
What is the SMILES notation for 1-(4-propylpyrimidin-2-yl)propan-2-one?
The canonical SMILES for 1-(4-propylpyrimidin-2-yl)propan-2-one is CCCc1ccnc(CC(C)=O)n1.
What is the InChIKey of 1-(4-propylpyrimidin-2-yl)propan-2-one?
The InChIKey is AXOJLTGFOIFILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-4-9-5-6-11-10(12-9)7-8(2)13/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 1-(4-propylpyrimidin-2-yl)propan-2-one?
1-(4-propylpyrimidin-2-yl)propan-2-one has a molecular weight of 178.24 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylpyrimidin-2-yl)propan-2-one is sourced from PubChem (CID 116901542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).