5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

C9H15N3O — CID 148774555

IUPAC5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCc1cnc(CNC(C)C)[nH]c1=O
InChIInChI=1S/C9H15N3O/c1-6(2)10-5-8-11-4-7(3)9(13)12-8/h4,6,10H,5H2,1-3H3,(H,11,12,13)
InChIKeyOJBXVBBVVXWOGA-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.58
Rot. Bonds3

About 5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one

5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 148774555) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
PubChem CID148774555
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
SMILESCc1cnc(CNC(C)C)[nH]c1=O
InChIInChI=1S/C9H15N3O/c1-6(2)10-5-8-11-4-7(3)9(13)12-8/h4,6,10H,5H2,1-3H3,(H,11,12,13)
InChIKeyOJBXVBBVVXWOGA-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one (CID 148774555) is 5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is Cc1cnc(CNC(C)C)[nH]c1=O.
What is the InChIKey of 5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is OJBXVBBVVXWOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)10-5-8-11-4-7(3)9(13)12-8/h4,6,10H,5H2,1-3H3,(H,11,12,13).
What are the key properties of 5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one?
5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 181.24 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 148774555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).