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

C7H11N3O — CID 82651658

IUPAC2-methyl-5-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1cnc(C)[nH]c1=O
InChIInChI=1S/C7H11N3O/c1-5-9-4-6(3-8-2)7(11)10-5/h4,8H,3H2,1-2H3,(H,9,10,11)
InChIKeyYWUNQZIZYMBJCZ-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.20
Rot. Bonds2

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

2-methyl-5-(methylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 82651658) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-methyl-5-(methylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-5-(methylaminomethyl)-1H-pyrimidin-6-one
PubChem CID82651658
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name2-methyl-5-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1cnc(C)[nH]c1=O
InChIInChI=1S/C7H11N3O/c1-5-9-4-6(3-8-2)7(11)10-5/h4,8H,3H2,1-2H3,(H,9,10,11)
InChIKeyYWUNQZIZYMBJCZ-UHFFFAOYSA-N
XLogP-0.20
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(methylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-5-(methylaminomethyl)-1H-pyrimidin-6-one (CID 82651658) is 2-methyl-5-(methylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-5-(methylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-5-(methylaminomethyl)-1H-pyrimidin-6-one is CNCc1cnc(C)[nH]c1=O.
What is the InChIKey of 2-methyl-5-(methylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is YWUNQZIZYMBJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-9-4-6(3-8-2)7(11)10-5/h4,8H,3H2,1-2H3,(H,9,10,11).
What are the key properties of 2-methyl-5-(methylaminomethyl)-1H-pyrimidin-6-one?
2-methyl-5-(methylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 153.18 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(methylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82651658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).