2-methyl-6-(pyridin-4-ylmethylamino)-1H-pyrimidine-4-thione

C11H12N4S — CID 82457183

IUPAC2-methyl-6-(pyridin-4-ylmethylamino)-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(NCc2ccncc2)[nH]1
InChIInChI=1S/C11H12N4S/c1-8-14-10(6-11(16)15-8)13-7-9-2-4-12-5-3-9/h2-6H,7H2,1H3,(H2,13,14,15,16)
InChIKeyKKEKGQHPXQXKDO-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.45
Rot. Bonds3

About 2-methyl-6-(pyridin-4-ylmethylamino)-1H-pyrimidine-4-thione

2-methyl-6-(pyridin-4-ylmethylamino)-1H-pyrimidine-4-thione (PubChem CID 82457183) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-methyl-6-(pyridin-4-ylmethylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-methyl-6-(pyridin-4-ylmethylamino)-1H-pyrimidine-4-thione
PubChem CID82457183
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name2-methyl-6-(pyridin-4-ylmethylamino)-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(NCc2ccncc2)[nH]1
InChIInChI=1S/C11H12N4S/c1-8-14-10(6-11(16)15-8)13-7-9-2-4-12-5-3-9/h2-6H,7H2,1H3,(H2,13,14,15,16)
InChIKeyKKEKGQHPXQXKDO-UHFFFAOYSA-N
XLogP2.45
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-propyl-6-(pyridin-4-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457360
2-(methoxymethyl)-6-[(4-methoxyphenyl)methylamino]-1H-pyrimidine-4-thione
CID 82457482
2,5-dichloro-4-methyl-N-(pyridin-4-ylmethyl)aniline
CID 104726372
5,6-dimethyl-N-(pyridin-4-ylmethyl)-1,2,4-triazin-3-amine
CID 114383127
3,5-dichloro-N-(pyridin-4-ylmethyl)aniline
CID 964331
6-methyl-2-N-[(4-methylphenyl)methyl]-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112916486
3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline
CID 104938204
3-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 83063577
4-N-[2-(dimethylamino)ethyl]-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112912785
5-methyl-4-nitro-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 83267359
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-sulfonamide
CID 110760126
2-methyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110692469

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(pyridin-4-ylmethylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-methyl-6-(pyridin-4-ylmethylamino)-1H-pyrimidine-4-thione (CID 82457183) is 2-methyl-6-(pyridin-4-ylmethylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-methyl-6-(pyridin-4-ylmethylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-methyl-6-(pyridin-4-ylmethylamino)-1H-pyrimidine-4-thione is Cc1nc(=S)cc(NCc2ccncc2)[nH]1.
What is the InChIKey of 2-methyl-6-(pyridin-4-ylmethylamino)-1H-pyrimidine-4-thione?
The InChIKey is KKEKGQHPXQXKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-8-14-10(6-11(16)15-8)13-7-9-2-4-12-5-3-9/h2-6H,7H2,1H3,(H2,13,14,15,16).
What are the key properties of 2-methyl-6-(pyridin-4-ylmethylamino)-1H-pyrimidine-4-thione?
2-methyl-6-(pyridin-4-ylmethylamino)-1H-pyrimidine-4-thione has a molecular weight of 232.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(pyridin-4-ylmethylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).