N-(2,4-difluorophenyl)-4-(2,6-dimethoxypyrimidin-4-yl)piperazine-1-carboxamide

C17H19F2N5O3 — CID 121065315

IUPACN-(2,4-difluorophenyl)-4-(2,6-dimethoxypyrimidin-4-yl)piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc(OC)n1
InChIInChI=1S/C17H19F2N5O3/c1-26-15-10-14(21-16(22-15)27-2)23-5-7-24(8-6-23)17(25)20-13-4-3-11(18)9-12(13)19/h3-4,9-10H,5-8H2,1-2H3,(H,20,25)
InChIKeyHADSZDYIIUESAS-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.13
Rot. Bonds4

About N-(2,4-difluorophenyl)-4-(2,6-dimethoxypyrimidin-4-yl)piperazine-1-carboxamide

N-(2,4-difluorophenyl)-4-(2,6-dimethoxypyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 121065315) has the molecular formula C17H19F2N5O3 and a molecular weight of 379.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(2,6-dimethoxypyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(2,6-dimethoxypyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID121065315
Molecular FormulaC17H19F2N5O3
Molecular Weight379.37 g/mol
Exact Mass379.15
IUPAC NameN-(2,4-difluorophenyl)-4-(2,6-dimethoxypyrimidin-4-yl)piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc(OC)n1
InChIInChI=1S/C17H19F2N5O3/c1-26-15-10-14(21-16(22-15)27-2)23-5-7-24(8-6-23)17(25)20-13-4-3-11(18)9-12(13)19/h3-4,9-10H,5-8H2,1-2H3,(H,20,25)
InChIKeyHADSZDYIIUESAS-UHFFFAOYSA-N
XLogP2.13
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-difluorophenyl)-4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56919621
N-(2,4-difluorophenyl)-4-(2-methyl-6-propoxypyrimidin-4-yl)piperazine-1-carboxamide
CID 42065415
N-(2,4-difluorophenyl)-4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56699290
4-(2,6-dimethoxypyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 42154575
[4-(2,6-dimethoxypyrimidin-4-yl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 121065286
N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375509
4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112680
4-(2-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112616
N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 27869266
N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3258791
N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448
4-[3,5-bis(trifluoromethyl)phenyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 42705399

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(2,6-dimethoxypyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(2,6-dimethoxypyrimidin-4-yl)piperazine-1-carboxamide (CID 121065315) is N-(2,4-difluorophenyl)-4-(2,6-dimethoxypyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(2,6-dimethoxypyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(2,6-dimethoxypyrimidin-4-yl)piperazine-1-carboxamide is COc1cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc(OC)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(2,6-dimethoxypyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is HADSZDYIIUESAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O3/c1-26-15-10-14(21-16(22-15)27-2)23-5-7-24(8-6-23)17(25)20-13-4-3-11(18)9-12(13)19/h3-4,9-10H,5-8H2,1-2H3,(H,20,25).
What are the key properties of N-(2,4-difluorophenyl)-4-(2,6-dimethoxypyrimidin-4-yl)piperazine-1-carboxamide?
N-(2,4-difluorophenyl)-4-(2,6-dimethoxypyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 379.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(2,6-dimethoxypyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 121065315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).