6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine

C16H21N3O — CID 82453611

IUPAC6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCCCCOc1cc(NC(C)c2ccccc2)ncn1
InChIInChI=1S/C16H21N3O/c1-3-4-10-20-16-11-15(17-12-18-16)19-13(2)14-8-6-5-7-9-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,17,18,19)
InChIKeyLTLVPBJCQQTNQR-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.83
Rot. Bonds7

About 6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine

6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine (PubChem CID 82453611) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine
PubChem CID82453611
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCCCCOc1cc(NC(C)c2ccccc2)ncn1
InChIInChI=1S/C16H21N3O/c1-3-4-10-20-16-11-15(17-12-18-16)19-13(2)14-8-6-5-7-9-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,17,18,19)
InChIKeyLTLVPBJCQQTNQR-UHFFFAOYSA-N
XLogP3.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-butoxy-N-[1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 82453620
6-(2-methylpropoxy)-N-(1-phenylethyl)pyrimidin-4-amine
CID 82453564
N-[1-(4-methylphenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66328207
1-phenyl-N-(6-propoxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334028
N-[1-(2-chlorophenyl)ethyl]-6-propoxypyrimidin-4-amine
CID 66328797
N-(2-chloro-2-phenylethyl)-6-propoxypyrimidin-4-amine
CID 66331181
6-N-[3-(dimethylamino)propyl]-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112857728
6-heptoxy-N-methylpyrimidin-4-amine
CID 80861487
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-6-propoxypyrimidin-4-amine
CID 106388801
6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112854699
6-butoxy-N-cyclohexylpyrimidin-4-amine
CID 82453632
6-N-(2,6-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112859346

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine (CID 82453611) is 6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine is CCCCOc1cc(NC(C)c2ccccc2)ncn1.
What is the InChIKey of 6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine?
The InChIKey is LTLVPBJCQQTNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-4-10-20-16-11-15(17-12-18-16)19-13(2)14-8-6-5-7-9-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,17,18,19).
What are the key properties of 6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine?
6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-(1-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 82453611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).