6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine

C15H19N3O — CID 66328382

IUPAC6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine
SMILESCCOc1cc(NCCCc2ccccc2)ncn1
InChIInChI=1S/C15H19N3O/c1-2-19-15-11-14(17-12-18-15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,16,17,18)
InChIKeyJUYZGDAGVRVGFV-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.92
Rot. Bonds7

About 6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine

6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine (PubChem CID 66328382) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine
PubChem CID66328382
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine
SMILESCCOc1cc(NCCCc2ccccc2)ncn1
InChIInChI=1S/C15H19N3O/c1-2-19-15-11-14(17-12-18-15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,16,17,18)
InChIKeyJUYZGDAGVRVGFV-UHFFFAOYSA-N
XLogP2.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.92
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

N-(6-ethoxypyrimidin-4-yl)-N'-methyl-N'-phenylpropane-1,3-diamine
CID 66327351
6-(2-methoxyethoxy)-N-(2-phenylethyl)pyrimidin-4-amine
CID 82453669
4-N,4-N-diethyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863444
6-ethoxy-N-[3-(1-methylpyrazol-4-yl)propyl]pyrimidin-4-amine
CID 133464381
4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66330560
6-ethoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 66324894
[6-(3-phenylpropoxy)pyrimidin-4-yl]hydrazine
CID 80931328
6-ethoxy-N-(4,4,4-trifluorobutyl)pyrimidin-4-amine
CID 113327797
7-[(6-ethoxypyrimidin-4-yl)amino]heptanoic acid
CID 66318771
6-N-(3-phenylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112860904
6-ethoxy-N-[2-(furan-2-yl)ethyl]pyrimidin-4-amine
CID 66328978
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112863632

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine (CID 66328382) is 6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine is CCOc1cc(NCCCc2ccccc2)ncn1.
What is the InChIKey of 6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine?
The InChIKey is JUYZGDAGVRVGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-19-15-11-14(17-12-18-15)16-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,16,17,18).
What are the key properties of 6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine?
6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 66328382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).