N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine

C14H25N3O — CID 80883020

IUPACN-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(OC(C)C(C)C)c1C(C)C
InChIInChI=1S/C14H25N3O/c1-7-15-13-12(10(4)5)14(17-8-16-13)18-11(6)9(2)3/h8-11H,7H2,1-6H3,(H,15,16,17)
InChIKeyYQEYQQDKEQAHNV-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.46
Rot. Bonds6

About N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine

N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80883020) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine
PubChem CID80883020
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(OC(C)C(C)C)c1C(C)C
InChIInChI=1S/C14H25N3O/c1-7-15-13-12(10(4)5)14(17-8-16-13)18-11(6)9(2)3/h8-11H,7H2,1-6H3,(H,15,16,17)
InChIKeyYQEYQQDKEQAHNV-UHFFFAOYSA-N
XLogP3.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 103491655
N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine
CID 80861670
N-ethyl-6-(3-methylbutan-2-yloxy)-5-nitropyrimidin-4-amine
CID 80882486
6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 102989487
6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine
CID 80882614
N-ethyl-6-(3-methylbut-3-enoxy)-5-propan-2-ylpyrimidin-4-amine
CID 114471166
6-cyclohexyloxy-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80859432
6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80863799
N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80863706
N-ethyl-6-(oxan-4-yloxy)-5-propan-2-ylpyrimidin-4-amine
CID 80872208
4-N-ethyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80770662
6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80844937

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine (CID 80883020) is N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine is CCNc1ncnc(OC(C)C(C)C)c1C(C)C.
What is the InChIKey of N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is YQEYQQDKEQAHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-7-15-13-12(10(4)5)14(17-8-16-13)18-11(6)9(2)3/h8-11H,7H2,1-6H3,(H,15,16,17).
What are the key properties of N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine?
N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80883020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).