2-methyl-6-(1-phenylethoxy)-N-propylpyrimidin-4-amine

C16H21N3O — CID 80859945

IUPAC2-methyl-6-(1-phenylethoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OC(C)c2ccccc2)nc(C)n1
InChIInChI=1S/C16H21N3O/c1-4-10-17-15-11-16(19-13(3)18-15)20-12(2)14-8-6-5-7-9-14/h5-9,11-12H,4,10H2,1-3H3,(H,17,18,19)
InChIKeyVQXYXIXEDWMLLJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.75
Rot. Bonds6

About 2-methyl-6-(1-phenylethoxy)-N-propylpyrimidin-4-amine

2-methyl-6-(1-phenylethoxy)-N-propylpyrimidin-4-amine (PubChem CID 80859945) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-6-(1-phenylethoxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(1-phenylethoxy)-N-propylpyrimidin-4-amine
PubChem CID80859945
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-methyl-6-(1-phenylethoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OC(C)c2ccccc2)nc(C)n1
InChIInChI=1S/C16H21N3O/c1-4-10-17-15-11-16(19-13(3)18-15)20-12(2)14-8-6-5-7-9-14/h5-9,11-12H,4,10H2,1-3H3,(H,17,18,19)
InChIKeyVQXYXIXEDWMLLJ-UHFFFAOYSA-N
XLogP3.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-(1-phenylethoxy)-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

2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80860245
2-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80866216
4-chloro-2-methyl-6-(1-phenylethoxy)pyrimidine
CID 62483949
2-methyl-4-N-(1-phenylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80798243
2-methyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80869254
6-(2-chlorophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80864444
6-heptoxy-2-methyl-N-propylpyrimidin-4-amine
CID 80862052
6-ethoxy-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 66326268
2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
CID 82959220
6-benzylsulfanyl-2-methyl-N-propylpyrimidin-4-amine
CID 80888395
6-(3-iodophenoxy)-2-methyl-N-propylpyrimidin-4-amine
CID 80881036
4-N-[1-(3-chlorophenyl)ethyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80784552

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-phenylethoxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(1-phenylethoxy)-N-propylpyrimidin-4-amine (CID 80859945) is 2-methyl-6-(1-phenylethoxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(1-phenylethoxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(1-phenylethoxy)-N-propylpyrimidin-4-amine is CCCNc1cc(OC(C)c2ccccc2)nc(C)n1.
What is the InChIKey of 2-methyl-6-(1-phenylethoxy)-N-propylpyrimidin-4-amine?
The InChIKey is VQXYXIXEDWMLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-10-17-15-11-16(19-13(3)18-15)20-12(2)14-8-6-5-7-9-14/h5-9,11-12H,4,10H2,1-3H3,(H,17,18,19).
What are the key properties of 2-methyl-6-(1-phenylethoxy)-N-propylpyrimidin-4-amine?
2-methyl-6-(1-phenylethoxy)-N-propylpyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-phenylethoxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80859945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).