N-(2-phenylsulfanylethyl)-6-propylpyrimidin-4-amine

C15H19N3S — CID 61239569

IUPACN-(2-phenylsulfanylethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCCSc2ccccc2)ncn1
InChIInChI=1S/C15H19N3S/c1-2-6-13-11-15(18-12-17-13)16-9-10-19-14-7-4-3-5-8-14/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,16,17,18)
InChIKeyZJQBSLVBKYOYAU-UHFFFAOYSA-N
MW273.40 g/mol
LogP3.63
Rot. Bonds7

About N-(2-phenylsulfanylethyl)-6-propylpyrimidin-4-amine

N-(2-phenylsulfanylethyl)-6-propylpyrimidin-4-amine (PubChem CID 61239569) has the molecular formula C15H19N3S and a molecular weight of 273.40 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)-6-propylpyrimidin-4-amine
PubChem CID61239569
Molecular FormulaC15H19N3S
Molecular Weight273.40 g/mol
Exact Mass273.13
IUPAC NameN-(2-phenylsulfanylethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1cc(NCCSc2ccccc2)ncn1
InChIInChI=1S/C15H19N3S/c1-2-6-13-11-15(18-12-17-13)16-9-10-19-14-7-4-3-5-8-14/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,16,17,18)
InChIKeyZJQBSLVBKYOYAU-UHFFFAOYSA-N
XLogP3.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 53.63
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-(2-phenylethyl)-6-propylpyrimidin-4-amine
CID 61240140
6-fluoro-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
CID 106193063
6-chloro-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
CID 106193067
1-N-(6-propylpyrimidin-4-yl)butane-1,3-diamine
CID 63251185
N-ethyl-N'-(6-propylpyrimidin-4-yl)propane-1,3-diamine
CID 61241880
2-phenyl-2-[(6-propylpyrimidin-4-yl)amino]ethanol
CID 55157881
N-(2-cyclopentylethyl)-6-propylpyrimidin-4-amine
CID 61241874
N-(2-methylbutyl)-6-propylpyrimidin-4-amine
CID 62694370
[4-[[(6-propylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 107232280
N-(3-cyclopentylpropyl)-6-propylpyrimidin-4-amine
CID 106012599
N-[2-(1-methylpyrazol-4-yl)ethyl]-6-propylpyrimidin-4-amine
CID 80689109
[2-(phenylsulfanylmethyl)-6-propylpyrimidin-4-yl]hydrazine
CID 65143778

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)-6-propylpyrimidin-4-amine?
The IUPAC name of N-(2-phenylsulfanylethyl)-6-propylpyrimidin-4-amine (CID 61239569) is N-(2-phenylsulfanylethyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for N-(2-phenylsulfanylethyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for N-(2-phenylsulfanylethyl)-6-propylpyrimidin-4-amine is CCCc1cc(NCCSc2ccccc2)ncn1.
What is the InChIKey of N-(2-phenylsulfanylethyl)-6-propylpyrimidin-4-amine?
The InChIKey is ZJQBSLVBKYOYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-2-6-13-11-15(18-12-17-13)16-9-10-19-14-7-4-3-5-8-14/h3-5,7-8,11-12H,2,6,9-10H2,1H3,(H,16,17,18).
What are the key properties of N-(2-phenylsulfanylethyl)-6-propylpyrimidin-4-amine?
N-(2-phenylsulfanylethyl)-6-propylpyrimidin-4-amine has a molecular weight of 273.40 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 61239569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).