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

C13H15N3S — CID 64628452

IUPAC1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
SMILESCc1ccccc1C(N)CSc1ccncn1
InChIInChI=1S/C13H15N3S/c1-10-4-2-3-5-11(10)12(14)8-17-13-6-7-15-9-16-13/h2-7,9,12H,8,14H2,1H3
InChIKeyKVQQPTFJOKVTLK-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.58
Rot. Bonds4

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

1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethanamine (PubChem CID 64628452) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
PubChem CID64628452
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
SMILESCc1ccccc1C(N)CSc1ccncn1
InChIInChI=1S/C13H15N3S/c1-10-4-2-3-5-11(10)12(14)8-17-13-6-7-15-9-16-13/h2-7,9,12H,8,14H2,1H3
InChIKeyKVQQPTFJOKVTLK-UHFFFAOYSA-N
XLogP2.58
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64627645
N-[1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethyl]propan-1-amine
CID 64627451
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(2-methylphenyl)ethanamine
CID 64630643
1-(2,5-dimethoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64625639
1-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64648131
1-(2-methoxyphenyl)-2-pyridin-2-ylsulfanylethanamine
CID 64649689
1-(4-propoxyphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64628453
(2R)-1-pyrimidin-4-ylsulfanylpropan-2-ol
CID 106933386
2-amino-3-pyrimidin-4-ylsulfanylpropanamide
CID 63695895
1-(2-methoxyphenyl)-2-pyrazin-2-ylsulfanylethanamine
CID 64628426
1-(2-methoxyphenyl)-2-pyrimidin-2-ylsulfanylethanamine
CID 64649620
ethyl 2-methyl-3-pyrimidin-4-ylsulfanylpropanoate
CID 63696552

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethanamine?
The IUPAC name of 1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethanamine (CID 64628452) is 1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethanamine.
What is the SMILES notation for 1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethanamine?
The canonical SMILES for 1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethanamine is Cc1ccccc1C(N)CSc1ccncn1.
What is the InChIKey of 1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethanamine?
The InChIKey is KVQQPTFJOKVTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-10-4-2-3-5-11(10)12(14)8-17-13-6-7-15-9-16-13/h2-7,9,12H,8,14H2,1H3.
What are the key properties of 1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethanamine?
1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethanamine has a molecular weight of 245.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-pyrimidin-4-ylsulfanylethanamine is sourced from PubChem (CID 64628452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).