1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine

C15H19N3OS — CID 64628453

IUPAC1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
SMILESCCCOc1ccc(C(N)CSc2ccncn2)cc1
InChIInChI=1S/C15H19N3OS/c1-2-9-19-13-5-3-12(4-6-13)14(16)10-20-15-7-8-17-11-18-15/h3-8,11,14H,2,9-10,16H2,1H3
InChIKeyCXCCLEADVJCMRP-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.06
Rot. Bonds7

About 1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine

1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine (PubChem CID 64628453) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
PubChem CID64628453
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
SMILESCCCOc1ccc(C(N)CSc2ccncn2)cc1
InChIInChI=1S/C15H19N3OS/c1-2-9-19-13-5-3-12(4-6-13)14(16)10-20-15-7-8-17-11-18-15/h3-8,11,14H,2,9-10,16H2,1H3
InChIKeyCXCCLEADVJCMRP-UHFFFAOYSA-N
XLogP3.06
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 64620813
2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
CID 64612378
2-[(3-bromo-2-pyridinyl)sulfanyl]-1-(4-propoxyphenyl)ethanamine
CID 64630836
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64625639
1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64627645
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(4-propoxyphenyl)ethanamine
CID 64650253
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
ethyl 2-methyl-3-pyrimidin-4-ylsulfanylpropanoate
CID 63696552
1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64628452
3-[2-amino-2-(4-propoxyphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66102558
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312

Frequently Asked Questions

What is the IUPAC name of 1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine?
The IUPAC name of 1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine (CID 64628453) is 1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine.
What is the SMILES notation for 1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine?
The canonical SMILES for 1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine is CCCOc1ccc(C(N)CSc2ccncn2)cc1.
What is the InChIKey of 1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine?
The InChIKey is CXCCLEADVJCMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-9-19-13-5-3-12(4-6-13)14(16)10-20-15-7-8-17-11-18-15/h3-8,11,14H,2,9-10,16H2,1H3.
What are the key properties of 1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine?
1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine has a molecular weight of 289.40 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine is sourced from PubChem (CID 64628453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).