N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide

C19H22F3N5O — CID 122357061

IUPACN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
SMILESCc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H22F3N5O/c1-12-16(13(2)24-18(23-12)27-10-8-26(3)9-11-27)25-17(28)14-4-6-15(7-5-14)19(20,21)22/h4-7H,8-11H2,1-3H3,(H,25,28)
InChIKeyGDNPGGOMJWONKD-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.12
Rot. Bonds3

About N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide

N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide (PubChem CID 122357061) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
PubChem CID122357061
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC NameN-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide
SMILESCc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H22F3N5O/c1-12-16(13(2)24-18(23-12)27-10-8-26(3)9-11-27)25-17(28)14-4-6-15(7-5-14)19(20,21)22/h4-7H,8-11H2,1-3H3,(H,25,28)
InChIKeyGDNPGGOMJWONKD-UHFFFAOYSA-N
XLogP3.12
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-methylbenzamide
CID 122357040
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-2-carboxamide
CID 122357062
1-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122357114
3-chloro-N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122357054
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,4-difluorobenzamide
CID 122357088
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122356884
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-methylpyrazine-2-carboxamide
CID 122357284
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide
CID 122357164
2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109302142
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122357285
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122357215
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-2-(trifluoromethyl)benzamide
CID 122356464

Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide (CID 122357061) is N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide is Cc1nc(N2CCN(C)CC2)nc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is GDNPGGOMJWONKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O/c1-12-16(13(2)24-18(23-12)27-10-8-26(3)9-11-27)25-17(28)14-4-6-15(7-5-14)19(20,21)22/h4-7H,8-11H2,1-3H3,(H,25,28).
What are the key properties of N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide?
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 393.41 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 122357061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).