4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine

C17H23N3O — CID 115974921

IUPAC4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NC(CC)c2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-4-11-21-16-12-13(3)18-17(20-16)19-15(5-2)14-9-7-6-8-10-14/h6-10,12,15H,4-5,11H2,1-3H3,(H,18,19,20)
InChIKeyMPFNCEYOVGEJNF-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.14
Rot. Bonds7

About 4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine

4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine (PubChem CID 115974921) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine
PubChem CID115974921
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NC(CC)c2ccccc2)n1
InChIInChI=1S/C17H23N3O/c1-4-11-21-16-12-13(3)18-17(20-16)19-15(5-2)14-9-7-6-8-10-14/h6-10,12,15H,4-5,11H2,1-3H3,(H,18,19,20)
InChIKeyMPFNCEYOVGEJNF-UHFFFAOYSA-N
XLogP4.14
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637434
4-methyl-6-propoxy-N-(1-thiophen-2-ylbutyl)pyrimidin-2-amine
CID 115974776
4-methyl-6-propoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 112636733
N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115974734
4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine
CID 115974555
3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol
CID 114156370
2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanol
CID 112691748
N-(2-methoxy-1-phenylethyl)-4,6-dimethylpyrimidin-2-amine
CID 133403156
4-ethoxy-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-2-amine
CID 112637254
1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 115974718
1,1-dimethyl-2-(4-methyl-6-propoxypyrimidin-2-yl)hydrazine
CID 112638424

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine?
The IUPAC name of 4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine (CID 115974921) is 4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine is CCCOc1cc(C)nc(NC(CC)c2ccccc2)n1.
What is the InChIKey of 4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine?
The InChIKey is MPFNCEYOVGEJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-11-21-16-12-13(3)18-17(20-16)19-15(5-2)14-9-7-6-8-10-14/h6-10,12,15H,4-5,11H2,1-3H3,(H,18,19,20).
What are the key properties of 4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine?
4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine has a molecular weight of 285.39 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 115974921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).