(1R)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine

C11H13N3O — CID 94587547

IUPAC(1R)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCc1nc(-c2ccco2)ncc1[C@@H](C)N
InChIInChI=1S/C11H13N3O/c1-7(12)9-6-13-11(14-8(9)2)10-4-3-5-15-10/h3-7H,12H2,1-2H3/t7-/m1/s1
InChIKeyXVLWODBAVZCAKQ-SSDOTTSWSA-N
MW203.24 g/mol
LogP2.06
Rot. Bonds2

About (1R)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine

(1R)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine (PubChem CID 94587547) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is (1R)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
PubChem CID94587547
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name(1R)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCc1nc(-c2ccco2)ncc1[C@@H](C)N
InChIInChI=1S/C11H13N3O/c1-7(12)9-6-13-11(14-8(9)2)10-4-3-5-15-10/h3-7H,12H2,1-2H3/t7-/m1/s1
InChIKeyXVLWODBAVZCAKQ-SSDOTTSWSA-N
XLogP2.06
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 62771891
(1S)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanol
CID 103431623
1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 63090960
2-(furan-2-yl)-5,6-dimethylpyrimidin-4-amine
CID 62201956
4-ethyl-2-(furan-2-yl)pyrimidin-5-amine
CID 82374827
(1S)-1-[2-(5-chloro-2-pyridinyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103431993
(1S)-1-[4-methyl-2-(4-methylquinolin-2-yl)pyrimidin-5-yl]ethanamine
CID 103432065
[2-(furan-2-yl)pyrimidin-5-yl]hydrazine
CID 134693283
(1S)-1-[2-(2-bromo-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
CID 107915584
2-(furan-2-yl)pyrido[3,2-d]pyrimidine
CID 101478815
1-[2-(5-fluoro-2-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
CID 55112626
(1S)-1-[4-methyl-2-(3,4,5-trifluorophenyl)pyrimidin-5-yl]ethanamine
CID 103431927

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine?
The IUPAC name of (1R)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine (CID 94587547) is (1R)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine is Cc1nc(-c2ccco2)ncc1[C@@H](C)N.
What is the InChIKey of (1R)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine?
The InChIKey is XVLWODBAVZCAKQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7(12)9-6-13-11(14-8(9)2)10-4-3-5-15-10/h3-7H,12H2,1-2H3/t7-/m1/s1.
What are the key properties of (1R)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine?
(1R)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine has a molecular weight of 203.24 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 94587547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).