N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide

C16H27N5O — CID 109361753

IUPACN-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(N2CCN(CC)CC2)nc(C)n1
InChIInChI=1S/C16H27N5O/c1-4-6-7-17-16(22)14-12-15(19-13(3)18-14)21-10-8-20(5-2)9-11-21/h12H,4-11H2,1-3H3,(H,17,22)
InChIKeyZXLXXKCSHVYHHX-UHFFFAOYSA-N
MW305.43 g/mol
LogP1.46
Rot. Bonds6

About N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide

N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109361753) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
PubChem CID109361753
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC NameN-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(N2CCN(CC)CC2)nc(C)n1
InChIInChI=1S/C16H27N5O/c1-4-6-7-17-16(22)14-12-15(19-13(3)18-14)21-10-8-20(5-2)9-11-21/h12H,4-11H2,1-3H3,(H,17,22)
InChIKeyZXLXXKCSHVYHHX-UHFFFAOYSA-N
XLogP1.46
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365167
N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109361747
2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362764
N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109361785
2-methyl-6-(4-methylpiperidin-1-yl)-N-pentylpyrimidine-4-carboxamide
CID 109364151
6-(4-ethylpiperazin-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360588
6-(4-ethylpiperazin-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109367168
N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide
CID 109361802
2-methyl-N-propyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109360246
6-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109367187
N-(2,5-dimethylphenyl)-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367223
N-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367173

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide (CID 109361753) is N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide is CCCCNC(=O)c1cc(N2CCN(CC)CC2)nc(C)n1.
What is the InChIKey of N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is ZXLXXKCSHVYHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-4-6-7-17-16(22)14-12-15(19-13(3)18-14)21-10-8-20(5-2)9-11-21/h12H,4-11H2,1-3H3,(H,17,22).
What are the key properties of N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide?
N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109361753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).