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

C19H23F2N5O2 — CID 42065415

IUPACN-(2,4-difluorophenyl)-4-(2-methyl-6-propoxypyrimidin-4-yl)piperazine-1-carboxamide
SMILESCCCOc1cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc(C)n1
InChIInChI=1S/C19H23F2N5O2/c1-3-10-28-18-12-17(22-13(2)23-18)25-6-8-26(9-7-25)19(27)24-16-5-4-14(20)11-15(16)21/h4-5,11-12H,3,6-10H2,1-2H3,(H,24,27)
InChIKeyNIOADWWPXDFWNK-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.21
Rot. Bonds5

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

N-(2,4-difluorophenyl)-4-(2-methyl-6-propoxypyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 42065415) has the molecular formula C19H23F2N5O2 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(2-methyl-6-propoxypyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(2-methyl-6-propoxypyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID42065415
Molecular FormulaC19H23F2N5O2
Molecular Weight391.42 g/mol
Exact Mass391.18
IUPAC NameN-(2,4-difluorophenyl)-4-(2-methyl-6-propoxypyrimidin-4-yl)piperazine-1-carboxamide
SMILESCCCOc1cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc(C)n1
InChIInChI=1S/C19H23F2N5O2/c1-3-10-28-18-12-17(22-13(2)23-18)25-6-8-26(9-7-25)19(27)24-16-5-4-14(20)11-15(16)21/h4-5,11-12H,3,6-10H2,1-2H3,(H,24,27)
InChIKeyNIOADWWPXDFWNK-UHFFFAOYSA-N
XLogP3.21
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-(2,6-dimethoxypyrimidin-4-yl)piperazine-1-carboxamide
CID 121065315
N-(2,4-difluorophenyl)-4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56699290
(3-chlorophenyl)-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]methanone
CID 42473337
N-[4-[4-(2-methyl-6-propoxypyrimidin-4-yl)piperazin-1-yl]sulfonylphenyl]acetamide
CID 42474065
N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375509
N-(2,4-difluorophenyl)-4-(4-ethyl-3-oxoquinoxalin-2-yl)piperazine-1-carboxamide
CID 53070100
4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112680
N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 27869266
N-(4-ethoxyphenyl)-4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxamide
CID 42065423
N-(2,4-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868570
N-(3,5-difluorophenyl)-4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50753236

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(2-methyl-6-propoxypyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-4-(2-methyl-6-propoxypyrimidin-4-yl)piperazine-1-carboxamide (CID 42065415) is N-(2,4-difluorophenyl)-4-(2-methyl-6-propoxypyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(2-methyl-6-propoxypyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(2-methyl-6-propoxypyrimidin-4-yl)piperazine-1-carboxamide is CCCOc1cc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)nc(C)n1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(2-methyl-6-propoxypyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is NIOADWWPXDFWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N5O2/c1-3-10-28-18-12-17(22-13(2)23-18)25-6-8-26(9-7-25)19(27)24-16-5-4-14(20)11-15(16)21/h4-5,11-12H,3,6-10H2,1-2H3,(H,24,27).
What are the key properties of N-(2,4-difluorophenyl)-4-(2-methyl-6-propoxypyrimidin-4-yl)piperazine-1-carboxamide?
N-(2,4-difluorophenyl)-4-(2-methyl-6-propoxypyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 391.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(2-methyl-6-propoxypyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 42065415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).