N-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine

C13H17N3O — CID 114245237

IUPACN-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1nc(-c2ccoc2C)ncc1C
InChIInChI=1S/C13H17N3O/c1-4-14-8-12-9(2)7-15-13(16-12)11-5-6-17-10(11)3/h5-7,14H,4,8H2,1-3H3
InChIKeyZGWCFMOTGUPDMN-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.46
Rot. Bonds4

About N-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine

N-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine (PubChem CID 114245237) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine
PubChem CID114245237
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine
SMILESCCNCc1nc(-c2ccoc2C)ncc1C
InChIInChI=1S/C13H17N3O/c1-4-14-8-12-9(2)7-15-13(16-12)11-5-6-17-10(11)3/h5-7,14H,4,8H2,1-3H3
InChIKeyZGWCFMOTGUPDMN-UHFFFAOYSA-N
XLogP2.46
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 104790819
2-[4,6-diethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-ethylethanamine
CID 104790887
5-(bromomethyl)-4-methyl-2-(2-methylfuran-3-yl)pyrimidine
CID 130483314
N-ethyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104788840
2-(2-methylfuran-3-yl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 104790568
5-iodo-2-(2-methylfuran-3-yl)pyrimidin-4-amine
CID 104790716
[4-cyclopropyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]methanol
CID 114205160
N-[[2-(2-methylfuran-3-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 104790829
N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine
CID 104790643
4-chloro-6-ethyl-5-iodo-2-(2-methylfuran-3-yl)pyrimidine
CID 104789169
4-(2-methylfuran-3-yl)-1,3,5-triazin-2-amine
CID 104791061
N-[[4,6-dimethyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]ethanamine
CID 113455509

Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine (CID 114245237) is N-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine is CCNCc1nc(-c2ccoc2C)ncc1C.
What is the InChIKey of N-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine?
The InChIKey is ZGWCFMOTGUPDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-14-8-12-9(2)7-15-13(16-12)11-5-6-17-10(11)3/h5-7,14H,4,8H2,1-3H3.
What are the key properties of N-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine?
N-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-(2-methylfuran-3-yl)pyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 114245237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).