4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide

C19H25FN6O — CID 56699954

IUPAC4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide
SMILESCc1nc(N(C)C)cc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)n1
InChIInChI=1S/C19H25FN6O/c1-13-15(20)6-5-7-16(13)23-19(27)26-10-8-25(9-11-26)18-12-17(24(3)4)21-14(2)22-18/h5-7,12H,8-11H2,1-4H3,(H,23,27)
InChIKeyXHPWOMQUFLFECE-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.65
Rot. Bonds3

About 4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide

4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide (PubChem CID 56699954) has the molecular formula C19H25FN6O and a molecular weight of 372.45 g/mol. Its IUPAC name is 4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide
PubChem CID56699954
Molecular FormulaC19H25FN6O
Molecular Weight372.45 g/mol
Exact Mass372.21
IUPAC Name4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide
SMILESCc1nc(N(C)C)cc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)n1
InChIInChI=1S/C19H25FN6O/c1-13-15(20)6-5-7-16(13)23-19(27)26-10-8-25(9-11-26)18-12-17(24(3)4)21-14(2)22-18/h5-7,12H,8-11H2,1-4H3,(H,23,27)
InChIKeyXHPWOMQUFLFECE-UHFFFAOYSA-N
XLogP2.65
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 136530919
N-(3-fluoro-2-methylphenyl)-4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50944903
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
N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56920620
4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122340214
N-(5-chloro-2,4-dimethoxyphenyl)-4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazine-1-carboxamide
CID 50753181
N-(2,4-difluorophenyl)-4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56919621
N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001194
1-[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 122340264
4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 47001484
[4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 122340190

Frequently Asked Questions

What is the IUPAC name of 4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide (CID 56699954) is 4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide is Cc1nc(N(C)C)cc(N2CCN(C(=O)Nc3cccc(F)c3C)CC2)n1.
What is the InChIKey of 4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is XHPWOMQUFLFECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6O/c1-13-15(20)6-5-7-16(13)23-19(27)26-10-8-25(9-11-26)18-12-17(24(3)4)21-14(2)22-18/h5-7,12H,8-11H2,1-4H3,(H,23,27).
What are the key properties of 4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide?
4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 56699954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).