(3R)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one

C14H20F3N5O — CID 97251620

IUPAC(3R)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one
SMILESCCC[C@@H]1C(=O)NCCN1c1nc(N(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N5O/c1-4-5-9-12(23)18-6-7-22(9)13-19-10(14(15,16)17)8-11(20-13)21(2)3/h8-9H,4-7H2,1-3H3,(H,18,23)/t9-/m1/s1
InChIKeyWGRJINBCMGKPLV-SECBINFHSA-N
MW331.34 g/mol
LogP1.67
Rot. Bonds4

About (3R)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one

(3R)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one (PubChem CID 97251620) has the molecular formula C14H20F3N5O and a molecular weight of 331.34 g/mol. Its IUPAC name is (3R)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one
PubChem CID97251620
Molecular FormulaC14H20F3N5O
Molecular Weight331.34 g/mol
Exact Mass331.16
IUPAC Name(3R)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one
SMILESCCC[C@@H]1C(=O)NCCN1c1nc(N(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C14H20F3N5O/c1-4-5-9-12(23)18-6-7-22(9)13-19-10(14(15,16)17)8-11(20-13)21(2)3/h8-9H,4-7H2,1-3H3,(H,18,23)/t9-/m1/s1
InChIKeyWGRJINBCMGKPLV-SECBINFHSA-N
XLogP1.67
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one
CID 97251621
4-(4-methylpyrimidin-2-yl)-3-propylpiperazin-2-one
CID 75482794
2-(2,3-dimethylthiomorpholin-4-yl)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133309157
N,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 133314312
1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide
CID 133271070
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133274040
N,N-diethyl-3-nitro-4-[(2S)-3-oxo-2-propylpiperazin-1-yl]benzenesulfonamide
CID 97251625
4-[[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methyl]-3-propylpiperazin-2-one
CID 119048688
3-ethyl-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one
CID 63602774
2-[(2S)-2-(6-chloro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 96536005
N,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 133275801
2-[4-(2-fluoroanilino)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133330758

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one?
The IUPAC name of (3R)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one (CID 97251620) is (3R)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one.
What is the SMILES notation for (3R)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one?
The canonical SMILES for (3R)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one is CCC[C@@H]1C(=O)NCCN1c1nc(N(C)C)cc(C(F)(F)F)n1.
What is the InChIKey of (3R)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one?
The InChIKey is WGRJINBCMGKPLV-SECBINFHSA-N. The full InChI is InChI=1S/C14H20F3N5O/c1-4-5-9-12(23)18-6-7-22(9)13-19-10(14(15,16)17)8-11(20-13)21(2)3/h8-9H,4-7H2,1-3H3,(H,18,23)/t9-/m1/s1.
What are the key properties of (3R)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one?
(3R)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one has a molecular weight of 331.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-3-propylpiperazin-2-one is sourced from PubChem (CID 97251620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).