5-(aminomethyl)-3-cyclopropyl-2-methylpyrimidin-4-one

C9H13N3O — CID 83875119

IUPAC5-(aminomethyl)-3-cyclopropyl-2-methylpyrimidin-4-one
SMILESCc1ncc(CN)c(=O)n1C1CC1
InChIInChI=1S/C9H13N3O/c1-6-11-5-7(4-10)9(13)12(6)8-2-3-8/h5,8H,2-4,10H2,1H3
InChIKeyJDGAFJQCGKRDTD-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.35
Rot. Bonds2

About 5-(aminomethyl)-3-cyclopropyl-2-methylpyrimidin-4-one

5-(aminomethyl)-3-cyclopropyl-2-methylpyrimidin-4-one (PubChem CID 83875119) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-(aminomethyl)-3-cyclopropyl-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-cyclopropyl-2-methylpyrimidin-4-one
PubChem CID83875119
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-(aminomethyl)-3-cyclopropyl-2-methylpyrimidin-4-one
SMILESCc1ncc(CN)c(=O)n1C1CC1
InChIInChI=1S/C9H13N3O/c1-6-11-5-7(4-10)9(13)12(6)8-2-3-8/h5,8H,2-4,10H2,1H3
InChIKeyJDGAFJQCGKRDTD-UHFFFAOYSA-N
XLogP0.35
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-Dimethyl-5-[[methyl(propyl)amino]methyl]pyrimidin-4-one
CID 59881373
2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
N-cyclopropyl-1,4-dihydropyrimidine-5-carboxamide
CID 68040207
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide
CID 129935352
1,2-Dimethyl-6-oxopyrimidine-5-carboxamide;ethane
CID 141822291
5-(Aminomethyl)-2-methylpyrimidin-3-id-4-one;ruthenium(1+)
CID 145471989
5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 148774555
2,5-Dimethyl-3-propan-2-ylpyrimidin-4-one
CID 169884003
N-cyclopropyl-3-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)propanamide
CID 66341380
N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide
CID 76852062
2-Methyl-5-((methylamino)methyl)pyrimidin-4(3H)-one
CID 82651658
5-(Aminomethyl)-2,3-dimethylpyrimidin-4-one
CID 83872659

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-cyclopropyl-2-methylpyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-3-cyclopropyl-2-methylpyrimidin-4-one (CID 83875119) is 5-(aminomethyl)-3-cyclopropyl-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-3-cyclopropyl-2-methylpyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-3-cyclopropyl-2-methylpyrimidin-4-one is Cc1ncc(CN)c(=O)n1C1CC1.
What is the InChIKey of 5-(aminomethyl)-3-cyclopropyl-2-methylpyrimidin-4-one?
The InChIKey is JDGAFJQCGKRDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-11-5-7(4-10)9(13)12(6)8-2-3-8/h5,8H,2-4,10H2,1H3.
What are the key properties of 5-(aminomethyl)-3-cyclopropyl-2-methylpyrimidin-4-one?
5-(aminomethyl)-3-cyclopropyl-2-methylpyrimidin-4-one has a molecular weight of 179.22 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-cyclopropyl-2-methylpyrimidin-4-one is sourced from PubChem (CID 83875119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).