N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline

C14H17N3S — CID 62580992

IUPACN-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline
SMILESCc1ccnc(SC(C)CNc2ccccc2)n1
InChIInChI=1S/C14H17N3S/c1-11-8-9-15-14(17-11)18-12(2)10-16-13-6-4-3-5-7-13/h3-9,12,16H,10H2,1-2H3
InChIKeyMEKXMCMWTUCAKI-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline

N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline (PubChem CID 62580992) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline.

Molecular Properties

Compound NameN-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline
PubChem CID62580992
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline
SMILESCc1ccnc(SC(C)CNc2ccccc2)n1
InChIInChI=1S/C14H17N3S/c1-11-8-9-15-14(17-11)18-12(2)10-16-13-6-4-3-5-7-13/h3-9,12,16H,10H2,1-2H3
InChIKeyMEKXMCMWTUCAKI-UHFFFAOYSA-N
XLogP3.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropan-1-amine
CID 62581527
2-(4-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 62269446
N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]cyclohexanamine
CID 62581167
N-[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propyl]aniline
CID 62578541
N-(2-methylsulfanylpropyl)aniline
CID 62582287
N-(3-ethoxypropyl)-2-(4-methylpyrimidin-2-yl)sulfanylpropan-1-amine
CID 55092498
2-(cyclopropylamino)-2-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpentan-1-ol
CID 64807747
N-[2-(4-methoxyphenyl)sulfanylpropyl]aniline
CID 55092272
3-methyl-2-(4-methylpyrimidin-2-yl)sulfanyl-1-phenylbutan-1-amine
CID 64632096
3-(4-methylpyrimidin-2-yl)sulfanyl-3-phenylpropanenitrile
CID 55117636
N-(2-thiophen-2-ylsulfanylpropyl)aniline
CID 62578377
2-(4-methylpyrimidin-2-yl)sulfanylbutan-1-amine
CID 62269447

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline?
The IUPAC name of N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline (CID 62580992) is N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline.
What is the SMILES notation for N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline?
The canonical SMILES for N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline is Cc1ccnc(SC(C)CNc2ccccc2)n1.
What is the InChIKey of N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline?
The InChIKey is MEKXMCMWTUCAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-11-8-9-15-14(17-11)18-12(2)10-16-13-6-4-3-5-7-13/h3-9,12,16H,10H2,1-2H3.
What are the key properties of N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline?
N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline has a molecular weight of 259.38 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpyrimidin-2-yl)sulfanylpropyl]aniline is sourced from PubChem (CID 62580992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).