5-(aminomethyl)-3-cyclopropylpyrimidin-4-one

C8H11N3O — CID 83873297

IUPAC5-(aminomethyl)-3-cyclopropylpyrimidin-4-one
SMILESNCc1cncn(C2CC2)c1=O
InChIInChI=1S/C8H11N3O/c9-3-6-4-10-5-11(8(6)12)7-1-2-7/h4-5,7H,1-3,9H2
InChIKeyUFCXFVQVRDARHH-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.04
Rot. Bonds2

About 5-(aminomethyl)-3-cyclopropylpyrimidin-4-one

5-(aminomethyl)-3-cyclopropylpyrimidin-4-one (PubChem CID 83873297) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 5-(aminomethyl)-3-cyclopropylpyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-cyclopropylpyrimidin-4-one
PubChem CID83873297
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name5-(aminomethyl)-3-cyclopropylpyrimidin-4-one
SMILESNCc1cncn(C2CC2)c1=O
InChIInChI=1S/C8H11N3O/c9-3-6-4-10-5-11(8(6)12)7-1-2-7/h4-5,7H,1-3,9H2
InChIKeyUFCXFVQVRDARHH-UHFFFAOYSA-N
XLogP0.04
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1,4-dihydropyrimidine-5-carboxamide
CID 68040207
5-Methyl-3-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 123408388
5-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrimidin-6-one
CID 172329324
N-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide
CID 66307817
5-(Aminomethyl)-3-methylpyrimidin-4-one
CID 83872299
3-Methyl-5-(methylaminomethyl)pyrimidin-4-one
CID 83872657
5-(Aminomethyl)-3-propan-2-ylpyrimidin-4-one
CID 83873643
1-Cyclopropyl-6-oxopyrimidine-5-carboximidamide
CID 83874845
3-Cyclopropyl-5-(methylaminomethyl)pyrimidin-4-one
CID 83875107
5-(2-Aminoethyl)-3-cyclopropylpyrimidin-4-one
CID 83875108
5-(Aminomethyl)-3-cyclopropyl-2-methylpyrimidin-4-one
CID 83875119
5-(Methylaminomethyl)-3-propan-2-ylpyrimidin-4-one
CID 83875797

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-cyclopropylpyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-3-cyclopropylpyrimidin-4-one (CID 83873297) is 5-(aminomethyl)-3-cyclopropylpyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-3-cyclopropylpyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-3-cyclopropylpyrimidin-4-one is NCc1cncn(C2CC2)c1=O.
What is the InChIKey of 5-(aminomethyl)-3-cyclopropylpyrimidin-4-one?
The InChIKey is UFCXFVQVRDARHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c9-3-6-4-10-5-11(8(6)12)7-1-2-7/h4-5,7H,1-3,9H2.
What are the key properties of 5-(aminomethyl)-3-cyclopropylpyrimidin-4-one?
5-(aminomethyl)-3-cyclopropylpyrimidin-4-one has a molecular weight of 165.20 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-cyclopropylpyrimidin-4-one is sourced from PubChem (CID 83873297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).