5-cyclopropyl-2-(methylaminomethyl)-1H-pyrimidin-6-one

C9H13N3O — CID 84656989

IUPAC5-cyclopropyl-2-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1ncc(C2CC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O/c1-10-5-8-11-4-7(6-2-3-6)9(13)12-8/h4,6,10H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyOQIMOSREUNVACU-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.37
Rot. Bonds3

About 5-cyclopropyl-2-(methylaminomethyl)-1H-pyrimidin-6-one

5-cyclopropyl-2-(methylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 84656989) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-cyclopropyl-2-(methylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclopropyl-2-(methylaminomethyl)-1H-pyrimidin-6-one
PubChem CID84656989
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-cyclopropyl-2-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1ncc(C2CC2)c(=O)[nH]1
InChIInChI=1S/C9H13N3O/c1-10-5-8-11-4-7(6-2-3-6)9(13)12-8/h4,6,10H,2-3,5H2,1H3,(H,11,12,13)
InChIKeyOQIMOSREUNVACU-UHFFFAOYSA-N
XLogP0.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl-5-n-propyl-4(3h)-pyrimidinone
CID 44176222
2-cyclopropyl-5-propyl-1H-pyrimidin-6-one
CID 23465438
2-cyclopropyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 23465449
2-cyclopropyl-5-ethyl-1H-pyrimidin-6-one
CID 23465452
2-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 24903697
2-methyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 117260666
2-ethyl-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 126542947
5-(2-methylpropyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 126543346
2-[3-(ethylamino)propyl]-5-propyl-1H-pyrimidin-6-one
CID 144503930
5-butyl-2-methyl-1H-pyrimidin-6-one
CID 154318485
2,5-dipropyl-1H-pyrimidin-6-one
CID 165101826
2-(cyclopropylmethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 59304193

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(methylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclopropyl-2-(methylaminomethyl)-1H-pyrimidin-6-one (CID 84656989) is 5-cyclopropyl-2-(methylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclopropyl-2-(methylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclopropyl-2-(methylaminomethyl)-1H-pyrimidin-6-one is CNCc1ncc(C2CC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclopropyl-2-(methylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is OQIMOSREUNVACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-10-5-8-11-4-7(6-2-3-6)9(13)12-8/h4,6,10H,2-3,5H2,1H3,(H,11,12,13).
What are the key properties of 5-cyclopropyl-2-(methylaminomethyl)-1H-pyrimidin-6-one?
5-cyclopropyl-2-(methylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(methylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 84656989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).