N-[(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine

C14H17N3S — CID 114055422

IUPACN-[(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine
SMILESCCNCc1cc(C)ccc1Sc1ccncn1
InChIInChI=1S/C14H17N3S/c1-3-15-9-12-8-11(2)4-5-13(12)18-14-6-7-16-10-17-14/h4-8,10,15H,3,9H2,1-2H3
InChIKeyJKYPZDUWSKLJCR-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.05
Rot. Bonds5

About N-[(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine

N-[(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine (PubChem CID 114055422) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-[(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine
PubChem CID114055422
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-[(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine
SMILESCCNCc1cc(C)ccc1Sc1ccncn1
InChIInChI=1S/C14H17N3S/c1-3-15-9-12-8-11(2)4-5-13(12)18-14-6-7-16-10-17-14/h4-8,10,15H,3,9H2,1-2H3
InChIKeyJKYPZDUWSKLJCR-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methanamine
CID 107931477
N-[(2-ethylsulfanyl-5-methylphenyl)methyl]ethanamine
CID 82553373
N-[(2-chloro-6-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine
CID 63813282
N-[(5-chloro-2-pyrimidin-4-ylsulfanylphenyl)methyl]-2-methylpropan-2-amine
CID 114864692
N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]propan-1-amine
CID 63814636
N-[(5-fluoro-2-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine
CID 55239640
N-[(5-chloro-2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine
CID 114864195
N-[(4-chloro-2-pyrimidin-4-ylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114864690
N-[(3-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]cyclopropanamine
CID 55240024
1-(5-chloro-2-pyrimidin-4-ylsulfanylphenyl)butan-2-amine
CID 114866366
N-[(2-pyrimidin-2-ylsulfanylphenyl)methyl]ethanamine
CID 63805494
N-[(2-cyclohexylsulfanyl-5-methylphenyl)methyl]ethanamine
CID 114055413

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of N-[(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine (CID 114055422) is N-[(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine is CCNCc1cc(C)ccc1Sc1ccncn1.
What is the InChIKey of N-[(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine?
The InChIKey is JKYPZDUWSKLJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-3-15-9-12-8-11(2)4-5-13(12)18-14-6-7-16-10-17-14/h4-8,10,15H,3,9H2,1-2H3.
What are the key properties of N-[(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine?
N-[(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine has a molecular weight of 259.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-pyrimidin-4-ylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 114055422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).