N-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine

C13H17N3O — CID 113455494

IUPACN-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCc1ccoc1-c1nccc(CNC(C)C)n1
InChIInChI=1S/C13H17N3O/c1-9(2)15-8-11-4-6-14-13(16-11)12-10(3)5-7-17-12/h4-7,9,15H,8H2,1-3H3
InChIKeyYYFIORCOTXKUHY-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.54
Rot. Bonds4

About N-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine

N-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine (PubChem CID 113455494) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
PubChem CID113455494
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCc1ccoc1-c1nccc(CNC(C)C)n1
InChIInChI=1S/C13H17N3O/c1-9(2)15-8-11-4-6-14-13(16-11)12-10(3)5-7-17-12/h4-7,9,15H,8H2,1-3H3
InChIKeyYYFIORCOTXKUHY-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-pyrimidin-2-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 55114824
N-[[4-methyl-2-(3-methylfuran-2-yl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206488
N-[[2-(furan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 62747932
N-[[2-(3,4,5-trifluorophenyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 62749520
N-[(2-bromopyrimidin-4-yl)methyl]propan-2-amine
CID 130113665
N-[[2-(oxolan-2-yl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65328670
N-[[2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 106849745
N-[[2-(2-methylcyclopropyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65421319
N-[[2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65402599
N-[(4-ethylpyrimidin-2-yl)methyl]propan-2-amine
CID 116898565
1-[6-methyl-2-(3-methylfuran-2-yl)pyrimidin-4-yl]propan-2-amine
CID 104807260
N-[[2-(butan-2-ylsulfanylmethyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65141143

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine (CID 113455494) is N-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine is Cc1ccoc1-c1nccc(CNC(C)C)n1.
What is the InChIKey of N-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine?
The InChIKey is YYFIORCOTXKUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(2)15-8-11-4-6-14-13(16-11)12-10(3)5-7-17-12/h4-7,9,15H,8H2,1-3H3.
What are the key properties of N-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine?
N-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine has a molecular weight of 231.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylfuran-2-yl)pyrimidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 113455494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).