N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine

C17H23N3S — CID 64626452

IUPACN-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
SMILESCCCc1ccc(C(CSc2ccncn2)NCC)cc1
InChIInChI=1S/C17H23N3S/c1-3-5-14-6-8-15(9-7-14)16(19-4-2)12-21-17-10-11-18-13-20-17/h6-11,13,16,19H,3-5,12H2,1-2H3
InChIKeyPFDAIEJRPIVOKC-UHFFFAOYSA-N
MW301.46 g/mol
LogP3.87
Rot. Bonds8

About N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine

N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine (PubChem CID 64626452) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
PubChem CID64626452
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
SMILESCCCc1ccc(C(CSc2ccncn2)NCC)cc1
InChIInChI=1S/C17H23N3S/c1-3-5-14-6-8-15(9-7-14)16(19-4-2)12-21-17-10-11-18-13-20-17/h6-11,13,16,19H,3-5,12H2,1-2H3
InChIKeyPFDAIEJRPIVOKC-UHFFFAOYSA-N
XLogP3.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 106927283
2-(ethylamino)-3-pyrimidin-4-ylsulfanylpropan-1-ol
CID 64808416
N-ethyl-1-methoxy-3-pyrimidin-4-ylsulfanylpropan-2-amine
CID 107511428
1-(1-benzofuran-2-yl)-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine
CID 64627448
N-ethyl-2-(2-methylpropylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 64611527
N-methyl-1-(4-propylphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64650012
N-ethyl-2-(3-methylbutan-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 107763388
3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]pyrimidin-4-one
CID 63768833
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-(4-ethylphenyl)ethanamine
CID 64629635
N-[1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethyl]propan-1-amine
CID 64627451
1-cyclohexyl-N-ethyl-2-pyrimidin-4-ylsulfanylethanamine
CID 113449525
3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]sulfanyl-2-methylpropan-1-ol
CID 66102568

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine?
The IUPAC name of N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine (CID 64626452) is N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine.
What is the SMILES notation for N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine?
The canonical SMILES for N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine is CCCc1ccc(C(CSc2ccncn2)NCC)cc1.
What is the InChIKey of N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine?
The InChIKey is PFDAIEJRPIVOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-3-5-14-6-8-15(9-7-14)16(19-4-2)12-21-17-10-11-18-13-20-17/h6-11,13,16,19H,3-5,12H2,1-2H3.
What are the key properties of N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine?
N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine has a molecular weight of 301.46 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine is sourced from PubChem (CID 64626452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).