N-ethyl-2-(furan-3-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine

C14H19N3O — CID 63204164

IUPACN-ethyl-2-(furan-3-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccoc2)nc(C)c1C(C)C
InChIInChI=1S/C14H19N3O/c1-5-15-14-12(9(2)3)10(4)16-13(17-14)11-6-7-18-8-11/h6-9H,5H2,1-4H3,(H,15,16,17)
InChIKeyLAZFWIUIICPXHI-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.60
Rot. Bonds4

About N-ethyl-2-(furan-3-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine

N-ethyl-2-(furan-3-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine (PubChem CID 63204164) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-ethyl-2-(furan-3-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(furan-3-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
PubChem CID63204164
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-ethyl-2-(furan-3-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccoc2)nc(C)c1C(C)C
InChIInChI=1S/C14H19N3O/c1-5-15-14-12(9(2)3)10(4)16-13(17-14)11-6-7-18-8-11/h6-9H,5H2,1-4H3,(H,15,16,17)
InChIKeyLAZFWIUIICPXHI-UHFFFAOYSA-N
XLogP3.60
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(furan-3-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(furan-3-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine (CID 63204164) is N-ethyl-2-(furan-3-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(furan-3-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(furan-3-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine is CCNc1nc(-c2ccoc2)nc(C)c1C(C)C.
What is the InChIKey of N-ethyl-2-(furan-3-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is LAZFWIUIICPXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-5-15-14-12(9(2)3)10(4)16-13(17-14)11-6-7-18-8-11/h6-9H,5H2,1-4H3,(H,15,16,17).
What are the key properties of N-ethyl-2-(furan-3-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine?
N-ethyl-2-(furan-3-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 245.33 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(furan-3-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63204164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).