5-(methylaminomethyl)-6-propan-2-yl-1H-pyrimidin-2-one

C9H15N3O — CID 82654568

IUPAC5-(methylaminomethyl)-6-propan-2-yl-1H-pyrimidin-2-one
SMILESCNCc1cnc(=O)[nH]c1C(C)C
InChIInChI=1S/C9H15N3O/c1-6(2)8-7(4-10-3)5-11-9(13)12-8/h5-6,10H,4H2,1-3H3,(H,11,12,13)
InChIKeyNARMRFDOIZBDLE-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.61
Rot. Bonds3

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

5-(methylaminomethyl)-6-propan-2-yl-1H-pyrimidin-2-one (PubChem CID 82654568) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(methylaminomethyl)-6-propan-2-yl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(methylaminomethyl)-6-propan-2-yl-1H-pyrimidin-2-one
PubChem CID82654568
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-(methylaminomethyl)-6-propan-2-yl-1H-pyrimidin-2-one
SMILESCNCc1cnc(=O)[nH]c1C(C)C
InChIInChI=1S/C9H15N3O/c1-6(2)8-7(4-10-3)5-11-9(13)12-8/h5-6,10H,4H2,1-3H3,(H,11,12,13)
InChIKeyNARMRFDOIZBDLE-UHFFFAOYSA-N
XLogP0.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-6-propan-2-yl-1H-pyrimidin-2-one?
The IUPAC name of 5-(methylaminomethyl)-6-propan-2-yl-1H-pyrimidin-2-one (CID 82654568) is 5-(methylaminomethyl)-6-propan-2-yl-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(methylaminomethyl)-6-propan-2-yl-1H-pyrimidin-2-one?
The canonical SMILES for 5-(methylaminomethyl)-6-propan-2-yl-1H-pyrimidin-2-one is CNCc1cnc(=O)[nH]c1C(C)C.
What is the InChIKey of 5-(methylaminomethyl)-6-propan-2-yl-1H-pyrimidin-2-one?
The InChIKey is NARMRFDOIZBDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)8-7(4-10-3)5-11-9(13)12-8/h5-6,10H,4H2,1-3H3,(H,11,12,13).
What are the key properties of 5-(methylaminomethyl)-6-propan-2-yl-1H-pyrimidin-2-one?
5-(methylaminomethyl)-6-propan-2-yl-1H-pyrimidin-2-one has a molecular weight of 181.24 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-6-propan-2-yl-1H-pyrimidin-2-one is sourced from PubChem (CID 82654568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).