N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

C19H25N5O — CID 108884869

IUPACN-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H25N5O/c1-19(2,3)15-5-7-16(8-6-15)22-18(25)24-13-11-23(12-14-24)17-20-9-4-10-21-17/h4-10H,11-14H2,1-3H3,(H,22,25)
InChIKeyYYYPCRVYPVKQFK-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.13
Rot. Bonds2

About N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 108884869) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID108884869
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccn3)CC2)cc1
InChIInChI=1S/C19H25N5O/c1-19(2,3)15-5-7-16(8-6-15)22-18(25)24-13-11-23(12-14-24)17-20-9-4-10-21-17/h4-10H,11-14H2,1-3H3,(H,22,25)
InChIKeyYYYPCRVYPVKQFK-UHFFFAOYSA-N
XLogP3.13
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-tert-butylphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 60543582
N-(4-methylsulfonylphenyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 118762508
N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113112711
N-(3,4-dimethoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108866262
N-(1-tert-butylpyrazol-4-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 138042294
N-(4-tert-butylphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
CID 121187574
2-(4-tert-butylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110766851
methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate
CID 108884940
2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108531694
N-(3-chlorophenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 646916
N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide
CID 108884847
N-(4-chlorophenyl)-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108965652

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 108884869) is N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is CC(C)(C)c1ccc(NC(=O)N2CCN(c3ncccn3)CC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is YYYPCRVYPVKQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-19(2,3)15-5-7-16(8-6-15)22-18(25)24-13-11-23(12-14-24)17-20-9-4-10-21-17/h4-10H,11-14H2,1-3H3,(H,22,25).
What are the key properties of N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 108884869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).