N-[2-(5-methylfuran-2-yl)ethyl]-6-phenoxypyrimidin-4-amine

C17H17N3O2 — CID 155969314

IUPACN-[2-(5-methylfuran-2-yl)ethyl]-6-phenoxypyrimidin-4-amine
SMILESCc1ccc(CCNc2cc(Oc3ccccc3)ncn2)o1
InChIInChI=1S/C17H17N3O2/c1-13-7-8-15(21-13)9-10-18-16-11-17(20-12-19-16)22-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,18,19,20)
InChIKeyNKMVHMNBWMCLTM-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.82
Rot. Bonds6

About N-[2-(5-methylfuran-2-yl)ethyl]-6-phenoxypyrimidin-4-amine

N-[2-(5-methylfuran-2-yl)ethyl]-6-phenoxypyrimidin-4-amine (PubChem CID 155969314) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)ethyl]-6-phenoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)ethyl]-6-phenoxypyrimidin-4-amine
PubChem CID155969314
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC NameN-[2-(5-methylfuran-2-yl)ethyl]-6-phenoxypyrimidin-4-amine
SMILESCc1ccc(CCNc2cc(Oc3ccccc3)ncn2)o1
InChIInChI=1S/C17H17N3O2/c1-13-7-8-15(21-13)9-10-18-16-11-17(20-12-19-16)22-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,18,19,20)
InChIKeyNKMVHMNBWMCLTM-UHFFFAOYSA-N
XLogP3.82
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)ethyl]-6-phenoxypyrimidin-4-amine?
The IUPAC name of N-[2-(5-methylfuran-2-yl)ethyl]-6-phenoxypyrimidin-4-amine (CID 155969314) is N-[2-(5-methylfuran-2-yl)ethyl]-6-phenoxypyrimidin-4-amine.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)ethyl]-6-phenoxypyrimidin-4-amine?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)ethyl]-6-phenoxypyrimidin-4-amine is Cc1ccc(CCNc2cc(Oc3ccccc3)ncn2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)ethyl]-6-phenoxypyrimidin-4-amine?
The InChIKey is NKMVHMNBWMCLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-13-7-8-15(21-13)9-10-18-16-11-17(20-12-19-16)22-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,18,19,20).
What are the key properties of N-[2-(5-methylfuran-2-yl)ethyl]-6-phenoxypyrimidin-4-amine?
N-[2-(5-methylfuran-2-yl)ethyl]-6-phenoxypyrimidin-4-amine has a molecular weight of 295.34 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)ethyl]-6-phenoxypyrimidin-4-amine is sourced from PubChem (CID 155969314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).