6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine

C17H23N3O2 — CID 82453620

IUPAC6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCCCCOc1cc(NC(C)c2ccc(OC)cc2)ncn1
InChIInChI=1S/C17H23N3O2/c1-4-5-10-22-17-11-16(18-12-19-17)20-13(2)14-6-8-15(21-3)9-7-14/h6-9,11-13H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyNNJAUKNAETYAME-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.84
Rot. Bonds8

About 6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine

6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine (PubChem CID 82453620) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
PubChem CID82453620
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCCCCOc1cc(NC(C)c2ccc(OC)cc2)ncn1
InChIInChI=1S/C17H23N3O2/c1-4-5-10-22-17-11-16(18-12-19-17)20-13(2)14-6-8-15(21-3)9-7-14/h6-9,11-13H,4-5,10H2,1-3H3,(H,18,19,20)
InChIKeyNNJAUKNAETYAME-UHFFFAOYSA-N
XLogP3.84
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453611
N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66328207
6-methoxy-N-[1-(4-methoxyphenyl)ethyl]-2-propylpyrimidin-4-amine
CID 82453817
2-ethyl-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 82453724
6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453564
6-heptoxy-N-methylpyrimidin-4-amine
CID 80861487
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxypyrimidin-4-amine
CID 106388801
N-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66328797
3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115704468
4-[1-(4-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 137016530
6-methoxy-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]pyrimidin-4-amine
CID 50969096
6-butoxy-N-cyclohexylpyrimidin-4-amine
CID 82453632

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine (CID 82453620) is 6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine is CCCCOc1cc(NC(C)c2ccc(OC)cc2)ncn1.
What is the InChIKey of 6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is NNJAUKNAETYAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-4-5-10-22-17-11-16(18-12-19-17)20-13(2)14-6-8-15(21-3)9-7-14/h6-9,11-13H,4-5,10H2,1-3H3,(H,18,19,20).
What are the key properties of 6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 301.39 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 82453620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).