4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

C11H16F3N3O — CID 136990017

IUPAC4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(C)CCC(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C11H16F3N3O/c1-7(2)10-15-8(6-9(18)16-10)17(3)5-4-11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16,18)
InChIKeySZWUJFFZPRBICE-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.28
Rot. Bonds4

About 4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136990017) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136990017
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(C)CCC(F)(F)F)cc(=O)[nH]1
InChIInChI=1S/C11H16F3N3O/c1-7(2)10-15-8(6-9(18)16-10)17(3)5-4-11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16,18)
InChIKeySZWUJFFZPRBICE-UHFFFAOYSA-N
XLogP2.28
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanethioamide
CID 137016014
4-[cyclopropylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009222
2-methyl-3-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanethioamide
CID 137016019
4-[azetidin-3-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136978540
4-[cyclopentylmethyl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137009650
2-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 137009906
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136737796
4-[3-aminopropyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136972556
4-[[4-(ethylamino)cyclohexyl]-methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136958280
4-[methyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]benzoic acid
CID 136972403
3-[ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
CID 137015758
4-[azepan-4-yl(methyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136850118

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136990017) is 4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N(C)CCC(F)(F)F)cc(=O)[nH]1.
What is the InChIKey of 4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is SZWUJFFZPRBICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-7(2)10-15-8(6-9(18)16-10)17(3)5-4-11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,16,18).
What are the key properties of 4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 263.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(3,3,3-trifluoropropyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136990017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).