N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide

C19H25N5O3 — CID 109361802

IUPACN-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(N2CCN(C(=O)c3ccco3)CC2)nc(C)n1
InChIInChI=1S/C19H25N5O3/c1-3-4-7-20-18(25)15-13-17(22-14(2)21-15)23-8-10-24(11-9-23)19(26)16-6-5-12-27-16/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,20,25)
InChIKeyVLMIZCWPCNJMRK-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.87
Rot. Bonds6

About N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide

N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109361802) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide
PubChem CID109361802
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1cc(N2CCN(C(=O)c3ccco3)CC2)nc(C)n1
InChIInChI=1S/C19H25N5O3/c1-3-4-7-20-18(25)15-13-17(22-14(2)21-15)23-8-10-24(11-9-23)19(26)16-6-5-12-27-16/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,20,25)
InChIKeyVLMIZCWPCNJMRK-UHFFFAOYSA-N
XLogP1.87
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109361785
[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 122351605
N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109361753
N-butyl-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109361747
N-butyl-2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]pyridine-4-carboxamide
CID 109079244
N-butyl-5-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109224407
2-methyl-N-pentyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362764
furan-2-yl-[4-[2-methyl-6-(2-phenylethylamino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 112873702
furan-2-yl-[4-[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 46267932
[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112855130
2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362757
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326

Frequently Asked Questions

What is the IUPAC name of N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide (CID 109361802) is N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide is CCCCNC(=O)c1cc(N2CCN(C(=O)c3ccco3)CC2)nc(C)n1.
What is the InChIKey of N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is VLMIZCWPCNJMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-3-4-7-20-18(25)15-13-17(22-14(2)21-15)23-8-10-24(11-9-23)19(26)16-6-5-12-27-16/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,20,25).
What are the key properties of N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide?
N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109361802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).