1-[2-[3-(furan-2-yl)propylamino]-4-methylpyrimidin-5-yl]ethanone

C14H17N3O2 — CID 137335001

IUPAC1-[2-[3-(furan-2-yl)propylamino]-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NCCCc2ccco2)nc1C
InChIInChI=1S/C14H17N3O2/c1-10-13(11(2)18)9-16-14(17-10)15-7-3-5-12-6-4-8-19-12/h4,6,8-9H,3,5,7H2,1-2H3,(H,15,16,17)
InChIKeyLSHZJMKYQIGAGJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.63
Rot. Bonds6

About 1-[2-[3-(furan-2-yl)propylamino]-4-methylpyrimidin-5-yl]ethanone

1-[2-[3-(furan-2-yl)propylamino]-4-methylpyrimidin-5-yl]ethanone (PubChem CID 137335001) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[2-[3-(furan-2-yl)propylamino]-4-methylpyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[3-(furan-2-yl)propylamino]-4-methylpyrimidin-5-yl]ethanone
PubChem CID137335001
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[2-[3-(furan-2-yl)propylamino]-4-methylpyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NCCCc2ccco2)nc1C
InChIInChI=1S/C14H17N3O2/c1-10-13(11(2)18)9-16-14(17-10)15-7-3-5-12-6-4-8-19-12/h4,6,8-9H,3,5,7H2,1-2H3,(H,15,16,17)
InChIKeyLSHZJMKYQIGAGJ-UHFFFAOYSA-N
XLogP2.63
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.63
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

1-[2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]-4-methylpyrimidin-5-yl]ethanone
CID 137343394
N-(furan-2-ylmethyl)-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959722
1-[4-methyl-2-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-5-yl]ethanone
CID 135112930
3-(furan-2-yl)-N-methylpropan-1-amine
CID 2772204
disodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate
CID 140677688
4-tert-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxylic acid
CID 91915936
6-[2-(furan-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylic acid
CID 61471529
4-[3-(furan-2-yl)propylamino]-6-methylpyrazolo[1,5-a]pyrazine-2-carboxylic acid
CID 167887533
2-(benzylamino)-4-methyl-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 20959691
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(furan-2-yl)propyl]acetamide
CID 131951454
N-[2-(furan-2-yl)ethyl]-5-methoxypyrimidin-2-amine
CID 114600435
2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56711673

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(furan-2-yl)propylamino]-4-methylpyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-[3-(furan-2-yl)propylamino]-4-methylpyrimidin-5-yl]ethanone (CID 137335001) is 1-[2-[3-(furan-2-yl)propylamino]-4-methylpyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-[3-(furan-2-yl)propylamino]-4-methylpyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-[3-(furan-2-yl)propylamino]-4-methylpyrimidin-5-yl]ethanone is CC(=O)c1cnc(NCCCc2ccco2)nc1C.
What is the InChIKey of 1-[2-[3-(furan-2-yl)propylamino]-4-methylpyrimidin-5-yl]ethanone?
The InChIKey is LSHZJMKYQIGAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-13(11(2)18)9-16-14(17-10)15-7-3-5-12-6-4-8-19-12/h4,6,8-9H,3,5,7H2,1-2H3,(H,15,16,17).
What are the key properties of 1-[2-[3-(furan-2-yl)propylamino]-4-methylpyrimidin-5-yl]ethanone?
1-[2-[3-(furan-2-yl)propylamino]-4-methylpyrimidin-5-yl]ethanone has a molecular weight of 259.31 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(furan-2-yl)propylamino]-4-methylpyrimidin-5-yl]ethanone is sourced from PubChem (CID 137335001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).