1-phenyl-N-propyl-2-pyrimidin-2-ylsulfanylbutan-1-amine

C17H23N3S — CID 64649430

IUPAC1-phenyl-N-propyl-2-pyrimidin-2-ylsulfanylbutan-1-amine
SMILESCCCNC(c1ccccc1)C(CC)Sc1ncccn1
InChIInChI=1S/C17H23N3S/c1-3-11-18-16(14-9-6-5-7-10-14)15(4-2)21-17-19-12-8-13-20-17/h5-10,12-13,15-16,18H,3-4,11H2,1-2H3
InChIKeyZFJKPIZTXGZKFS-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.09
Rot. Bonds8

About 1-phenyl-N-propyl-2-pyrimidin-2-ylsulfanylbutan-1-amine

1-phenyl-N-propyl-2-pyrimidin-2-ylsulfanylbutan-1-amine (PubChem CID 64649430) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is 1-phenyl-N-propyl-2-pyrimidin-2-ylsulfanylbutan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-propyl-2-pyrimidin-2-ylsulfanylbutan-1-amine
PubChem CID64649430
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC Name1-phenyl-N-propyl-2-pyrimidin-2-ylsulfanylbutan-1-amine
SMILESCCCNC(c1ccccc1)C(CC)Sc1ncccn1
InChIInChI=1S/C17H23N3S/c1-3-11-18-16(14-9-6-5-7-10-14)15(4-2)21-17-19-12-8-13-20-17/h5-10,12-13,15-16,18H,3-4,11H2,1-2H3
InChIKeyZFJKPIZTXGZKFS-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylfuran-3-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine
CID 107784222
2-butylsulfanyl-1-phenyl-N-propylbutan-1-amine
CID 64610891
2-(1-methylpyrazol-4-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine
CID 64626985
N-ethyl-1-phenyl-2-pyrimidin-2-ylsulfanylpropan-1-amine
CID 64648445
1-phenyl-N-propyl-2-pyridin-4-ylpropan-1-amine
CID 66448538
ethyl 2-[1-phenyl-1-(propylamino)butan-2-yl]sulfanylacetate
CID 64615868
2-[phenyl(propylamino)methyl]butan-1-ol
CID 64814687
N-ethyl-1-phenyl-2-propylsulfanylbutan-1-amine
CID 64614895
N-ethyl-2-(2-methylphenyl)sulfanyl-1-phenylbutan-1-amine
CID 64649271
2-[(5-bromo-2-pyridinyl)sulfanyl]-N-ethyl-1-phenylbutan-1-amine
CID 64630232
2-butylsulfanyl-N-ethyl-1-phenylbutan-1-amine
CID 64609645
N-(1-phenyl-2-pyrimidin-2-ylethyl)propan-1-amine
CID 55163177

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-propyl-2-pyrimidin-2-ylsulfanylbutan-1-amine?
The IUPAC name of 1-phenyl-N-propyl-2-pyrimidin-2-ylsulfanylbutan-1-amine (CID 64649430) is 1-phenyl-N-propyl-2-pyrimidin-2-ylsulfanylbutan-1-amine.
What is the SMILES notation for 1-phenyl-N-propyl-2-pyrimidin-2-ylsulfanylbutan-1-amine?
The canonical SMILES for 1-phenyl-N-propyl-2-pyrimidin-2-ylsulfanylbutan-1-amine is CCCNC(c1ccccc1)C(CC)Sc1ncccn1.
What is the InChIKey of 1-phenyl-N-propyl-2-pyrimidin-2-ylsulfanylbutan-1-amine?
The InChIKey is ZFJKPIZTXGZKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-3-11-18-16(14-9-6-5-7-10-14)15(4-2)21-17-19-12-8-13-20-17/h5-10,12-13,15-16,18H,3-4,11H2,1-2H3.
What are the key properties of 1-phenyl-N-propyl-2-pyrimidin-2-ylsulfanylbutan-1-amine?
1-phenyl-N-propyl-2-pyrimidin-2-ylsulfanylbutan-1-amine has a molecular weight of 301.46 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-propyl-2-pyrimidin-2-ylsulfanylbutan-1-amine is sourced from PubChem (CID 64649430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).