N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide

C20H25FN6O2 — CID 56920620

IUPACN-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1c(F)cccc1NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C20H25FN6O2/c1-15-16(21)3-2-4-17(15)24-20(28)27-7-5-25(6-8-27)18-13-19(23-14-22-18)26-9-11-29-12-10-26/h2-4,13-14H,5-12H2,1H3,(H,24,28)
InChIKeyVMKSOHWIFATKMH-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.11
Rot. Bonds3

About N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide

N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 56920620) has the molecular formula C20H25FN6O2 and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID56920620
Molecular FormulaC20H25FN6O2
Molecular Weight400.46 g/mol
Exact Mass400.20
IUPAC NameN-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCc1c(F)cccc1NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1
InChIInChI=1S/C20H25FN6O2/c1-15-16(21)3-2-4-17(15)24-20(28)27-7-5-25(6-8-27)18-13-19(23-14-22-18)26-9-11-29-12-10-26/h2-4,13-14H,5-12H2,1H3,(H,24,28)
InChIKeyVMKSOHWIFATKMH-UHFFFAOYSA-N
XLogP2.11
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methyl-2-pyridinyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 154752851
N-(3-fluoro-2-methylphenyl)-4-(2-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 136530919
N-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921210
4-[6-(dimethylamino)-2-methylpyrimidin-4-yl]-N-(3-fluoro-2-methylphenyl)piperazine-1-carboxamide
CID 56699954
N-(2,6-difluorophenyl)-4-[6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 122344725
4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-(2-methylphenyl)piperazine-1-carboxamide
CID 47001484
N-(3-fluoro-2-methylphenyl)-4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 50944903
N-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 136527153
N-(2-methylphenyl)-4-(5-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 91968888
4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122340812
N-(2,3-dimethoxyphenyl)-4-(6-morpholin-4-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122335412
N-(2-fluoro-3-methylphenyl)morpholine-4-carboxamide
CID 166178432

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide (CID 56920620) is N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide is Cc1c(F)cccc1NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is VMKSOHWIFATKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O2/c1-15-16(21)3-2-4-17(15)24-20(28)27-7-5-25(6-8-27)18-13-19(23-14-22-18)26-9-11-29-12-10-26/h2-4,13-14H,5-12H2,1H3,(H,24,28).
What are the key properties of N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide?
N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 400.46 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 56920620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).