4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

C19H23F3N6O2 — CID 122340214

IUPAC4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESCc1nc(N(C)C)cc(N2CCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C19H23F3N6O2/c1-13-23-16(26(2)3)12-17(24-13)27-8-10-28(11-9-27)18(29)25-14-4-6-15(7-5-14)30-19(20,21)22/h4-7,12H,8-11H2,1-3H3,(H,25,29)
InChIKeyAHTIAGXDCRJBBK-UHFFFAOYSA-N
MW424.43 g/mol
LogP3.10
Rot. Bonds4

About 4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 122340214) has the molecular formula C19H23F3N6O2 and a molecular weight of 424.43 g/mol. Its IUPAC name is 4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
PubChem CID122340214
Molecular FormulaC19H23F3N6O2
Molecular Weight424.43 g/mol
Exact Mass424.18
IUPAC Name4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESCc1nc(N(C)C)cc(N2CCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)n1
InChIInChI=1S/C19H23F3N6O2/c1-13-23-16(26(2)3)12-17(24-13)27-8-10-28(11-9-27)18(29)25-14-4-6-15(7-5-14)30-19(20,21)22/h4-7,12H,8-11H2,1-3H3,(H,25,29)
InChIKeyAHTIAGXDCRJBBK-UHFFFAOYSA-N
XLogP3.10
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-bromophenyl)-4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide
CID 56919567
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide
CID 122340217
4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122349864
4-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3867518
4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide
CID 56699954
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
4-[6-(ethylamino)-2-methylpyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 50944540
4-(2-piperidin-1-ylpyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122344063
N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide
CID 50753181
4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 56700336
4-(5-nitro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 2795845
N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide
CID 42065423

Frequently Asked Questions

What is the IUPAC name of 4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide (CID 122340214) is 4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide is Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)n1.
What is the InChIKey of 4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is AHTIAGXDCRJBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O2/c1-13-23-16(26(2)3)12-17(24-13)27-8-10-28(11-9-27)18(29)25-14-4-6-15(7-5-14)30-19(20,21)22/h4-7,12H,8-11H2,1-3H3,(H,25,29).
What are the key properties of 4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 424.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 122340214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).