3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one

C12H11N3O — CID 105085399

IUPAC3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one
SMILESO=C(CCc1ccncc1)c1cncnc1
InChIInChI=1S/C12H11N3O/c16-12(11-7-14-9-15-8-11)2-1-10-3-5-13-6-4-10/h3-9H,1-2H2
InChIKeyBOJCMROWGIZZFI-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.69
Rot. Bonds4

About 3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one

3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one (PubChem CID 105085399) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one.

Molecular Properties

Compound Name3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one
PubChem CID105085399
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one
SMILESO=C(CCc1ccncc1)c1cncnc1
InChIInChI=1S/C12H11N3O/c16-12(11-7-14-9-15-8-11)2-1-10-3-5-13-6-4-10/h3-9H,1-2H2
InChIKeyBOJCMROWGIZZFI-UHFFFAOYSA-N
XLogP1.69
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenyl)-1-pyrimidin-5-ylpropan-1-one
CID 105085449
3-pyridin-4-ylpropanoyl iodide
CID 171810746
1-(3-propylphenyl)-3-pyridin-4-ylpropan-1-one
CID 105133909
2-pyridin-3-yl-1-pyrimidin-5-ylethanone
CID 62553059
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-ylpropan-1-one
CID 105094185
acetic acid;3-pyridin-4-ylpropanoic acid
CID 71346900
1-pyrimidin-5-yl-4-thiophen-2-ylbutane-1,4-dione
CID 90363831
methyl 3-pyridin-4-ylpropanoate
CID 3704115
5-pyridin-4-ylpent-1-yn-3-one
CID 105108150
1-(2-methylthiophen-3-yl)-3-pyridin-4-ylpropan-1-one
CID 102839923
1-(3-cyclopropyloxyphenyl)-3-pyridin-4-ylpropan-1-one
CID 105134432
3-cyclopropyl-1-pyrimidin-5-ylpropan-1-one
CID 102923156

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one?
The IUPAC name of 3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one (CID 105085399) is 3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one.
What is the SMILES notation for 3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one?
The canonical SMILES for 3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one is O=C(CCc1ccncc1)c1cncnc1.
What is the InChIKey of 3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one?
The InChIKey is BOJCMROWGIZZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c16-12(11-7-14-9-15-8-11)2-1-10-3-5-13-6-4-10/h3-9H,1-2H2.
What are the key properties of 3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one?
3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one has a molecular weight of 213.24 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-1-pyrimidin-5-ylpropan-1-one is sourced from PubChem (CID 105085399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).