N-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

C20H27N5O — CID 109345048

IUPACN-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(N2CCN(C)CC2)ncn1
InChIInChI=1S/C20H27N5O/c1-4-15-7-6-8-16(5-2)19(15)23-20(26)17-13-18(22-14-21-17)25-11-9-24(3)10-12-25/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,23,26)
InChIKeySEAPRGSWVKVDTG-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.61
Rot. Bonds5

About N-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

N-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109345048) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109345048
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cc(N2CCN(C)CC2)ncn1
InChIInChI=1S/C20H27N5O/c1-4-15-7-6-8-16(5-2)19(15)23-20(26)17-13-18(22-14-21-17)25-11-9-24(3)10-12-25/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,23,26)
InChIKeySEAPRGSWVKVDTG-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343494
6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109345059
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109341612
6-(azepan-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109355558
6-(4-ethylpiperazin-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109345330
N-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186512
6-(4-acetylpiperazin-1-yl)-N-(2,3-dimethylphenyl)pyrimidine-4-carboxamide
CID 109345919
N-(2,6-diethylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364179
6-(4-ethylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109345359
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109355106
N-(3-acetamidophenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345667
N-(2,6-diethylphenyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855731

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109345048) is N-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is CCc1cccc(CC)c1NC(=O)c1cc(N2CCN(C)CC2)ncn1.
What is the InChIKey of N-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is SEAPRGSWVKVDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-4-15-7-6-8-16(5-2)19(15)23-20(26)17-13-18(22-14-21-17)25-11-9-24(3)10-12-25/h6-8,13-14H,4-5,9-12H2,1-3H3,(H,23,26).
What are the key properties of N-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109345048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).