2-propan-2-yl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one

C11H14F3N3O — CID 137011769

IUPAC2-propan-2-yl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2(C(F)(F)F)CC2)cc(=O)[nH]1
InChIInChI=1S/C11H14F3N3O/c1-6(2)9-15-7(5-8(18)16-9)17-10(3-4-10)11(12,13)14/h5-6H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyVYPJZPXVMHQGCN-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.40
Rot. Bonds3

About 2-propan-2-yl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one

2-propan-2-yl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one (PubChem CID 137011769) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-propan-2-yl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
PubChem CID137011769
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC Name2-propan-2-yl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NC2(C(F)(F)F)CC2)cc(=O)[nH]1
InChIInChI=1S/C11H14F3N3O/c1-6(2)9-15-7(5-8(18)16-9)17-10(3-4-10)11(12,13)14/h5-6H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyVYPJZPXVMHQGCN-UHFFFAOYSA-N
XLogP2.40
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one (CID 137011769) is 2-propan-2-yl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one is CC(C)c1nc(NC2(C(F)(F)F)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-propan-2-yl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one?
The InChIKey is VYPJZPXVMHQGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-6(2)9-15-7(5-8(18)16-9)17-10(3-4-10)11(12,13)14/h5-6H,3-4H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-propan-2-yl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one?
2-propan-2-yl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one has a molecular weight of 261.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-[[1-(trifluoromethyl)cyclopropyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137011769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).