2-[5-[2-(dimethylamino)ethylamino]-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one

C13H17F3N6O — CID 162672135

IUPAC2-[5-[2-(dimethylamino)ethylamino]-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1cc(NCCN(C)C)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1
InChIInChI=1S/C13H17F3N6O/c1-8-6-10(17-4-5-21(2)3)22(20-8)12-18-9(13(14,15)16)7-11(23)19-12/h6-7,17H,4-5H2,1-3H3,(H,18,19,23)
InChIKeyYZBCEOLJEFLZHJ-UHFFFAOYSA-N
MW330.31 g/mol
LogP1.26
Rot. Bonds5

About 2-[5-[2-(dimethylamino)ethylamino]-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one

2-[5-[2-(dimethylamino)ethylamino]-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one (PubChem CID 162672135) has the molecular formula C13H17F3N6O and a molecular weight of 330.31 g/mol. Its IUPAC name is 2-[5-[2-(dimethylamino)ethylamino]-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[5-[2-(dimethylamino)ethylamino]-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
PubChem CID162672135
Molecular FormulaC13H17F3N6O
Molecular Weight330.31 g/mol
Exact Mass330.14
IUPAC Name2-[5-[2-(dimethylamino)ethylamino]-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
SMILESCc1cc(NCCN(C)C)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1
InChIInChI=1S/C13H17F3N6O/c1-8-6-10(17-4-5-21(2)3)22(20-8)12-18-9(13(14,15)16)7-11(23)19-12/h6-7,17H,4-5H2,1-3H3,(H,18,19,23)
InChIKeyYZBCEOLJEFLZHJ-UHFFFAOYSA-N
XLogP1.26
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 135778888
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-ethyl-3,4-dihydropyrimidin-4-one
CID 135876292
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-propyl-3,4-dihydropyrimidin-4-one
CID 135876298
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)isobutyramide
CID 135551469
2-[5-(2-methoxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162669511
2-[3-methyl-5-(oxan-4-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162674085
2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162676141
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 135753026
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135752890
2,7-Dimethylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135420556
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 136027792
2-(5-Amino-3-methyl-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 162645359

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(dimethylamino)ethylamino]-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-[5-[2-(dimethylamino)ethylamino]-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one (CID 162672135) is 2-[5-[2-(dimethylamino)ethylamino]-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[5-[2-(dimethylamino)ethylamino]-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-[5-[2-(dimethylamino)ethylamino]-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one is Cc1cc(NCCN(C)C)n(-c2nc(C(F)(F)F)cc(=O)[nH]2)n1.
What is the InChIKey of 2-[5-[2-(dimethylamino)ethylamino]-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
The InChIKey is YZBCEOLJEFLZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N6O/c1-8-6-10(17-4-5-21(2)3)22(20-8)12-18-9(13(14,15)16)7-11(23)19-12/h6-7,17H,4-5H2,1-3H3,(H,18,19,23).
What are the key properties of 2-[5-[2-(dimethylamino)ethylamino]-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one?
2-[5-[2-(dimethylamino)ethylamino]-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one has a molecular weight of 330.31 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(dimethylamino)ethylamino]-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 162672135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).