2-tert-butyl-4-(methylaminomethyl)-1H-pyrimidin-6-one

C10H17N3O — CID 135978262

IUPAC2-tert-butyl-4-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(C(C)(C)C)n1
InChIInChI=1S/C10H17N3O/c1-10(2,3)9-12-7(6-11-4)5-8(14)13-9/h5,11H,6H2,1-4H3,(H,12,13,14)
InChIKeyLCGOGRTZLPVXGT-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.79
Rot. Bonds2

About 2-tert-butyl-4-(methylaminomethyl)-1H-pyrimidin-6-one

2-tert-butyl-4-(methylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 135978262) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-tert-butyl-4-(methylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-tert-butyl-4-(methylaminomethyl)-1H-pyrimidin-6-one
PubChem CID135978262
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-tert-butyl-4-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(C(C)(C)C)n1
InChIInChI=1S/C10H17N3O/c1-10(2,3)9-12-7(6-11-4)5-8(14)13-9/h5,11H,6H2,1-4H3,(H,12,13,14)
InChIKeyLCGOGRTZLPVXGT-UHFFFAOYSA-N
XLogP0.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylaminomethyl)-2-(3-phenylpentan-3-yl)-1H-pyrimidin-6-one
CID 135978448
6-methyl-4-(methylaminomethyl)-1H-pyrimidin-2-one
CID 82467833
4-(methylaminomethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135978265
N-[(2-tert-butyl-6-oxo-1H-pyrimidin-4-yl)methyl]-N'-(2,5-dimethylphenyl)oxamide
CID 135966419
2-[(4-bromophenyl)methyl]-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978166
4-(methylaminomethyl)-2-(3-methylphenyl)-1H-pyrimidin-6-one
CID 135978433
4-tert-butyl-2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one
CID 136955140
2-(1-methoxybutyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 136965380
2-(3-fluorophenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978440
2-(3-fluoro-4-methylphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978384
2-(3,4-dimethoxyphenyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978185
2-tert-butyl-4-(4-tert-butylphenyl)-1H-pyrimidin-6-one
CID 136692476

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(methylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-tert-butyl-4-(methylaminomethyl)-1H-pyrimidin-6-one (CID 135978262) is 2-tert-butyl-4-(methylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-tert-butyl-4-(methylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-tert-butyl-4-(methylaminomethyl)-1H-pyrimidin-6-one is CNCc1cc(=O)[nH]c(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-(methylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is LCGOGRTZLPVXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2,3)9-12-7(6-11-4)5-8(14)13-9/h5,11H,6H2,1-4H3,(H,12,13,14).
What are the key properties of 2-tert-butyl-4-(methylaminomethyl)-1H-pyrimidin-6-one?
2-tert-butyl-4-(methylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 195.27 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(methylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135978262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).