6-[2-(furan-2-yl)ethyl]-5-methanimidoyl-2-methylpyrimidin-4-amine

C12H14N4O — CID 144903127

IUPAC6-[2-(furan-2-yl)ethyl]-5-methanimidoyl-2-methylpyrimidin-4-amine
SMILES[H]/N=C/c1c(N)nc(C)nc1CCc1ccco1
InChIInChI=1S/C12H14N4O/c1-8-15-11(10(7-13)12(14)16-8)5-4-9-3-2-6-17-9/h2-3,6-7,13H,4-5H2,1H3,(H2,14,15,16)/b13-7+
InChIKeyRYUOMDRLRFVZJX-NTUHNPAUSA-N
MW230.27 g/mol
LogP1.74
Rot. Bonds4

About 6-[2-(furan-2-yl)ethyl]-5-methanimidoyl-2-methylpyrimidin-4-amine

6-[2-(furan-2-yl)ethyl]-5-methanimidoyl-2-methylpyrimidin-4-amine (PubChem CID 144903127) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-[2-(furan-2-yl)ethyl]-5-methanimidoyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(furan-2-yl)ethyl]-5-methanimidoyl-2-methylpyrimidin-4-amine
PubChem CID144903127
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name6-[2-(furan-2-yl)ethyl]-5-methanimidoyl-2-methylpyrimidin-4-amine
SMILES[H]/N=C/c1c(N)nc(C)nc1CCc1ccco1
InChIInChI=1S/C12H14N4O/c1-8-15-11(10(7-13)12(14)16-8)5-4-9-3-2-6-17-9/h2-3,6-7,13H,4-5H2,1H3,(H2,14,15,16)/b13-7+
InChIKeyRYUOMDRLRFVZJX-NTUHNPAUSA-N
XLogP1.74
TPSA88.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(furan-2-yl)ethyl]-5-methanimidoyl-2-methylpyrimidin-4-amine?
The IUPAC name of 6-[2-(furan-2-yl)ethyl]-5-methanimidoyl-2-methylpyrimidin-4-amine (CID 144903127) is 6-[2-(furan-2-yl)ethyl]-5-methanimidoyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-(furan-2-yl)ethyl]-5-methanimidoyl-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-[2-(furan-2-yl)ethyl]-5-methanimidoyl-2-methylpyrimidin-4-amine is [H]/N=C/c1c(N)nc(C)nc1CCc1ccco1.
What is the InChIKey of 6-[2-(furan-2-yl)ethyl]-5-methanimidoyl-2-methylpyrimidin-4-amine?
The InChIKey is RYUOMDRLRFVZJX-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H14N4O/c1-8-15-11(10(7-13)12(14)16-8)5-4-9-3-2-6-17-9/h2-3,6-7,13H,4-5H2,1H3,(H2,14,15,16)/b13-7+.
What are the key properties of 6-[2-(furan-2-yl)ethyl]-5-methanimidoyl-2-methylpyrimidin-4-amine?
6-[2-(furan-2-yl)ethyl]-5-methanimidoyl-2-methylpyrimidin-4-amine has a molecular weight of 230.27 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(furan-2-yl)ethyl]-5-methanimidoyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 144903127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).