N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine

C13H17N3O — CID 104790643

IUPACN-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccoc2C)nc(C)c1C
InChIInChI=1S/C13H17N3O/c1-5-14-12-8(2)9(3)15-13(16-12)11-6-7-17-10(11)4/h6-7H,5H2,1-4H3,(H,14,15,16)
InChIKeyFWJOGFNENSGOKC-UHFFFAOYSA-N
MW231.30 g/mol
LogP3.09
Rot. Bonds3

About N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine

N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine (PubChem CID 104790643) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine
PubChem CID104790643
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccoc2C)nc(C)c1C
InChIInChI=1S/C13H17N3O/c1-5-14-12-8(2)9(3)15-13(16-12)11-6-7-17-10(11)4/h6-7H,5H2,1-4H3,(H,14,15,16)
InChIKeyFWJOGFNENSGOKC-UHFFFAOYSA-N
XLogP3.09
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine
CID 63486132
N-ethyl-5,6-dimethyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 62192547
N-ethyl-5,6-dimethyl-2-quinolin-4-ylpyrimidin-4-amine
CID 63867940
2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 55045831
N-ethyl-2-(4-fluoro-2-methylphenyl)-5,6-dimethylpyrimidin-4-amine
CID 81278021
N-ethyl-10-(2-methylfuran-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 104790597
N-ethyl-5,6-dimethyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 62202443
N-ethyl-2-(5-ethylfuran-2-yl)-5,6-dimethylpyrimidin-4-amine
CID 62344725
N-ethyl-2-(2-methylfuran-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 113453441
[6-methyl-2-(2-methylfuran-3-yl)-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 104790765
N-ethyl-2-(2-methylfuran-3-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 104790727
3-[4,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-5-yl]-N-methylpropan-1-amine
CID 104790857

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine (CID 104790643) is N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine is CCNc1nc(-c2ccoc2C)nc(C)c1C.
What is the InChIKey of N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine?
The InChIKey is FWJOGFNENSGOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-5-14-12-8(2)9(3)15-13(16-12)11-6-7-17-10(11)4/h6-7H,5H2,1-4H3,(H,14,15,16).
What are the key properties of N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine?
N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine has a molecular weight of 231.30 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 104790643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).