N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide

C20H27N5O — CID 109297331

IUPACN-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C20H27N5O/c1-4-16(3)22-19(26)18-8-9-21-20(23-18)25-12-10-24(11-13-25)17-7-5-6-15(2)14-17/h5-9,14,16H,4,10-13H2,1-3H3,(H,22,26)
InChIKeySRVCWUTXMAFACQ-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.64
Rot. Bonds5

About N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide

N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide (PubChem CID 109297331) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
PubChem CID109297331
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCCC(C)NC(=O)c1ccnc(N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C20H27N5O/c1-4-16(3)22-19(26)18-8-9-21-20(23-18)25-12-10-24(11-13-25)17-7-5-6-15(2)14-17/h5-9,14,16H,4,10-13H2,1-3H3,(H,22,26)
InChIKeySRVCWUTXMAFACQ-UHFFFAOYSA-N
XLogP2.64
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297273
N-butan-2-yl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297333
2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109297356
N-(4-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310350
2-[4-(3-methylphenyl)piperazin-1-yl]-N-phenylpyrimidine-4-carboxamide
CID 109310347
N-(3-methoxypropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109300202
N-butan-2-yl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109297335
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310359
N-(4-cyanophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310358
N-butyl-N-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109310342
2-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylpyrimidin-4-amine
CID 112882024
N-butyl-2-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109296562

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide (CID 109297331) is N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide is CCC(C)NC(=O)c1ccnc(N2CCN(c3cccc(C)c3)CC2)n1.
What is the InChIKey of N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is SRVCWUTXMAFACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-4-16(3)22-19(26)18-8-9-21-20(23-18)25-12-10-24(11-13-25)17-7-5-6-15(2)14-17/h5-9,14,16H,4,10-13H2,1-3H3,(H,22,26).
What are the key properties of N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109297331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).