3-cyclopropyl-5-(methylaminomethyl)pyrimidin-4-one

C9H13N3O — CID 83875107

IUPAC3-cyclopropyl-5-(methylaminomethyl)pyrimidin-4-one
SMILESCNCc1cncn(C2CC2)c1=O
InChIInChI=1S/C9H13N3O/c1-10-4-7-5-11-6-12(9(7)13)8-2-3-8/h5-6,8,10H,2-4H2,1H3
InChIKeyQZIDSCQMNIOJRL-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.30
Rot. Bonds3

About 3-cyclopropyl-5-(methylaminomethyl)pyrimidin-4-one

3-cyclopropyl-5-(methylaminomethyl)pyrimidin-4-one (PubChem CID 83875107) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-cyclopropyl-5-(methylaminomethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopropyl-5-(methylaminomethyl)pyrimidin-4-one
PubChem CID83875107
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-cyclopropyl-5-(methylaminomethyl)pyrimidin-4-one
SMILESCNCc1cncn(C2CC2)c1=O
InChIInChI=1S/C9H13N3O/c1-10-4-7-5-11-6-12(9(7)13)8-2-3-8/h5-6,8,10H,2-4H2,1H3
InChIKeyQZIDSCQMNIOJRL-UHFFFAOYSA-N
XLogP0.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-1H-pyrimidin-3-ium-6-one
CID 21021531
N-cyclopropyl-1,4-dihydropyrimidine-5-carboxamide
CID 68040207
5-Methyl-3-(propan-2-yl)-3,4-dihydropyrimidin-4-one
CID 123408388
N-ethyl-1-methyl-6-oxopyrimidine-5-carboxamide
CID 141080908
Methyl-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]azanium
CID 143456508
5-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrimidin-6-one
CID 172329324
5-[1-(dimethylamino)ethyl]-1H-pyrimidin-6-one
CID 176568630
3-[3-(Cyclopropylamino)-2-methylpropyl]pyrimidin-4-one
CID 64231269
3-(5-iodo-6-oxopyrimidin-1-yl)-N-propan-2-ylpropanamide
CID 66307816
N-cyclopropyl-3-(5-iodo-6-oxopyrimidin-1-yl)propanamide
CID 66307817
3-[3-(Cyclopropylamino)-2-methylpropyl]-5-iodopyrimidin-4-one
CID 66309299
5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 82651173

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(methylaminomethyl)pyrimidin-4-one?
The IUPAC name of 3-cyclopropyl-5-(methylaminomethyl)pyrimidin-4-one (CID 83875107) is 3-cyclopropyl-5-(methylaminomethyl)pyrimidin-4-one.
What is the SMILES notation for 3-cyclopropyl-5-(methylaminomethyl)pyrimidin-4-one?
The canonical SMILES for 3-cyclopropyl-5-(methylaminomethyl)pyrimidin-4-one is CNCc1cncn(C2CC2)c1=O.
What is the InChIKey of 3-cyclopropyl-5-(methylaminomethyl)pyrimidin-4-one?
The InChIKey is QZIDSCQMNIOJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-10-4-7-5-11-6-12(9(7)13)8-2-3-8/h5-6,8,10H,2-4H2,1H3.
What are the key properties of 3-cyclopropyl-5-(methylaminomethyl)pyrimidin-4-one?
3-cyclopropyl-5-(methylaminomethyl)pyrimidin-4-one has a molecular weight of 179.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(methylaminomethyl)pyrimidin-4-one is sourced from PubChem (CID 83875107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).