2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine

C14H25N3O — CID 102989348

IUPAC2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OC(C)CCC)nc(CC)n1
InChIInChI=1S/C14H25N3O/c1-5-8-11(4)18-14-10-13(15-9-6-2)16-12(7-3)17-14/h10-11H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyPENQXIYCEPCNEM-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.43
Rot. Bonds8

About 2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine

2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine (PubChem CID 102989348) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine
PubChem CID102989348
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OC(C)CCC)nc(CC)n1
InChIInChI=1S/C14H25N3O/c1-5-8-11(4)18-14-10-13(15-9-6-2)16-12(7-3)17-14/h10-11H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyPENQXIYCEPCNEM-UHFFFAOYSA-N
XLogP3.43
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-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-pentan-2-yloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102989406
N,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine
CID 80942333
2-ethyl-N-methyl-6-octan-2-yloxypyrimidin-4-amine
CID 80942122
6-pentan-2-yloxy-N-propylpyrazin-2-amine
CID 102989461
2-ethyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80935431
2-ethyl-6-(3-methoxypropoxy)-N-propylpyrimidin-4-amine
CID 80941336
2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80860245
6-[2-(dimethylamino)-2-methylpropoxy]-2-ethyl-N-propylpyrimidin-4-amine
CID 80937326
N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80942175
6-[2-(diethylamino)ethoxy]-2-ethyl-N-propylpyrimidin-4-amine
CID 80942263
2-ethyl-6-(3-methoxy-3-methylbutoxy)-N-propylpyrimidin-4-amine
CID 106669067
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine (CID 102989348) is 2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine is CCCNc1cc(OC(C)CCC)nc(CC)n1.
What is the InChIKey of 2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine?
The InChIKey is PENQXIYCEPCNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-8-11(4)18-14-10-13(15-9-6-2)16-12(7-3)17-14/h10-11H,5-9H2,1-4H3,(H,15,16,17).
What are the key properties of 2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine?
2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine is sourced from PubChem (CID 102989348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).