N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide

C25H38N6O2 — CID 55698225

IUPACN-[2-[2-(diethylamino)ethoxy]phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCCN(CC)CCOc1ccccc1NC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1
InChIInChI=1S/C25H38N6O2/c1-6-29(7-2)16-17-33-22-11-9-8-10-21(22)27-25(32)31-14-12-30(13-15-31)23-18-20(5)26-24(28-23)19(3)4/h8-11,18-19H,6-7,12-17H2,1-5H3,(H,27,32)
InChIKeyRKSLUOYNUDBCOM-UHFFFAOYSA-N
MW454.62 g/mol
LogP3.98
Rot. Bonds9

About N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide

N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide (PubChem CID 55698225) has the molecular formula C25H38N6O2 and a molecular weight of 454.62 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
PubChem CID55698225
Molecular FormulaC25H38N6O2
Molecular Weight454.62 g/mol
Exact Mass454.31
IUPAC NameN-[2-[2-(diethylamino)ethoxy]phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
SMILESCCN(CC)CCOc1ccccc1NC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1
InChIInChI=1S/C25H38N6O2/c1-6-29(7-2)16-17-33-22-11-9-8-10-21(22)27-25(32)31-14-12-30(13-15-31)23-18-20(5)26-24(28-23)19(3)4/h8-11,18-19H,6-7,12-17H2,1-5H3,(H,27,32)
InChIKeyRKSLUOYNUDBCOM-UHFFFAOYSA-N
XLogP3.98
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.62
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 27734888
N-(2-ethoxyphenyl)-4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 56921511
4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]piperazine-1-carboxamide
CID 55835823
N-(4-methoxyphenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 30938906
2-(2-chlorophenoxy)-1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 26953597
N-(2-fluorophenyl)-2-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenoxy]acetamide
CID 38711386
N-(2-methoxyethyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 51074345
N-(3-chlorophenyl)-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 27734883
N-[2-(3-methylphenoxy)ethyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 46445438
N-(2-methoxyphenyl)-4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazine-1-carboxamide
CID 50944895
N-(2-ethylphenyl)-2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 34907603
4-[cyclohexyl(methyl)sulfamoyl]-N-[2-[2-(diethylamino)ethoxy]phenyl]piperazine-1-carboxamide
CID 55698385

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide (CID 55698225) is N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide is CCN(CC)CCOc1ccccc1NC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide?
The InChIKey is RKSLUOYNUDBCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N6O2/c1-6-29(7-2)16-17-33-22-11-9-8-10-21(22)27-25(32)31-14-12-30(13-15-31)23-18-20(5)26-24(28-23)19(3)4/h8-11,18-19H,6-7,12-17H2,1-5H3,(H,27,32).
What are the key properties of N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide?
N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide has a molecular weight of 454.62 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]phenyl]-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 55698225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).