2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide

C16H21N5O2 — CID 90543838

IUPAC2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(N3CCN(C)CC3)ncn2)c(C)o1
InChIInChI=1S/C16H21N5O2/c1-11-8-13(12(2)23-11)16(22)19-14-9-15(18-10-17-14)21-6-4-20(3)5-7-21/h8-10H,4-7H2,1-3H3,(H,17,18,19,22)
InChIKeyIXSWNEPGVQGZCK-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.69
Rot. Bonds3

About 2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide

2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide (PubChem CID 90543838) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide
PubChem CID90543838
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(N3CCN(C)CC3)ncn2)c(C)o1
InChIInChI=1S/C16H21N5O2/c1-11-8-13(12(2)23-11)16(22)19-14-9-15(18-10-17-14)21-6-4-20(3)5-7-21/h8-10H,4-7H2,1-3H3,(H,17,18,19,22)
InChIKeyIXSWNEPGVQGZCK-UHFFFAOYSA-N
XLogP1.69
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543966
5-methyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide
CID 90543921
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543726
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide
CID 90543989
2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543765
2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543723
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide
CID 71794816
4-(dimethylsulfamoyl)-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543760
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-4-nitrobenzamide
CID 90543897
1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylurea
CID 90544020
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2H-benzotriazole-5-carboxamide
CID 90543955
2-cyclohexyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]acetamide
CID 90543700

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide (CID 90543838) is 2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide is Cc1cc(C(=O)Nc2cc(N3CCN(C)CC3)ncn2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide?
The InChIKey is IXSWNEPGVQGZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11-8-13(12(2)23-11)16(22)19-14-9-15(18-10-17-14)21-6-4-20(3)5-7-21/h8-10H,4-7H2,1-3H3,(H,17,18,19,22).
What are the key properties of 2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide?
2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide is sourced from PubChem (CID 90543838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).