N-ethyl-2-(2-methylfuran-3-yl)-6-propan-2-ylpyrimidin-4-amine

C14H19N3O — CID 113453441

IUPACN-ethyl-2-(2-methylfuran-3-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(C(C)C)nc(-c2ccoc2C)n1
InChIInChI=1S/C14H19N3O/c1-5-15-13-8-12(9(2)3)16-14(17-13)11-6-7-18-10(11)4/h6-9H,5H2,1-4H3,(H,15,16,17)
InChIKeyUQCKCPFITRNSQG-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.60
Rot. Bonds4

About N-ethyl-2-(2-methylfuran-3-yl)-6-propan-2-ylpyrimidin-4-amine

N-ethyl-2-(2-methylfuran-3-yl)-6-propan-2-ylpyrimidin-4-amine (PubChem CID 113453441) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-ethyl-2-(2-methylfuran-3-yl)-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylfuran-3-yl)-6-propan-2-ylpyrimidin-4-amine
PubChem CID113453441
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-ethyl-2-(2-methylfuran-3-yl)-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(C(C)C)nc(-c2ccoc2C)n1
InChIInChI=1S/C14H19N3O/c1-5-15-13-8-12(9(2)3)16-14(17-13)11-6-7-18-10(11)4/h6-9H,5H2,1-4H3,(H,15,16,17)
InChIKeyUQCKCPFITRNSQG-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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Related Compounds

N-ethyl-2-(2-methylfuran-3-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 104790727
2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 103083750
N-ethyl-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 62191461
N-ethyl-6-propan-2-yl-2-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63485062
N-ethyl-2-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62191118
N-ethyl-2-(2-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 114554287
N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine
CID 104790643
N-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
CID 113373108
N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidin-4-amine
CID 115990720
N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
N-ethyl-2-(6-methoxy-3-pyridinyl)-6-propan-2-ylpyrimidin-4-amine
CID 114938334
2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 102843798

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylfuran-3-yl)-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(2-methylfuran-3-yl)-6-propan-2-ylpyrimidin-4-amine (CID 113453441) is N-ethyl-2-(2-methylfuran-3-yl)-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(2-methylfuran-3-yl)-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(2-methylfuran-3-yl)-6-propan-2-ylpyrimidin-4-amine is CCNc1cc(C(C)C)nc(-c2ccoc2C)n1.
What is the InChIKey of N-ethyl-2-(2-methylfuran-3-yl)-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is UQCKCPFITRNSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-5-15-13-8-12(9(2)3)16-14(17-13)11-6-7-18-10(11)4/h6-9H,5H2,1-4H3,(H,15,16,17).
What are the key properties of N-ethyl-2-(2-methylfuran-3-yl)-6-propan-2-ylpyrimidin-4-amine?
N-ethyl-2-(2-methylfuran-3-yl)-6-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-(2-methylfuran-3-yl)-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 113453441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).