2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide

C16H20N4O2 — CID 122317438

IUPAC2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCc2nccc(N3CCCC3)n2)c(C)o1
InChIInChI=1S/C16H20N4O2/c1-11-9-13(12(2)22-11)16(21)18-10-14-17-6-5-15(19-14)20-7-3-4-8-20/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,21)
InChIKeyIWKPVKVBGAMZML-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.22
Rot. Bonds4

About 2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide

2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide (PubChem CID 122317438) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide
PubChem CID122317438
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCc2nccc(N3CCCC3)n2)c(C)o1
InChIInChI=1S/C16H20N4O2/c1-11-9-13(12(2)22-11)16(21)18-10-14-17-6-5-15(19-14)20-7-3-4-8-20/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,21)
InChIKeyIWKPVKVBGAMZML-UHFFFAOYSA-N
XLogP2.22
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 72717998
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122317397
N-[[4-(dimethylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 121137973
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 121137119
2,4-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 91966531
3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318546
2,2-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 72717995
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122318529
7-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 122317401
4-methylsulfanyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318570
(2,5-dimethylfuran-3-yl)-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122343791
2-(4-methylphenoxy)-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 122317423

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide (CID 122317438) is 2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide is Cc1cc(C(=O)NCc2nccc(N3CCCC3)n2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide?
The InChIKey is IWKPVKVBGAMZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-9-13(12(2)22-11)16(21)18-10-14-17-6-5-15(19-14)20-7-3-4-8-20/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,21).
What are the key properties of 2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide?
2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 122317438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).