2-[(3-methoxy-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine

C12H14N4OS2 — CID 23294000

IUPAC2-[(3-methoxy-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
SMILESCOc1cccnc1CSc1nc(N)cc(SC)n1
InChIInChI=1S/C12H14N4OS2/c1-17-9-4-3-5-14-8(9)7-19-12-15-10(13)6-11(16-12)18-2/h3-6H,7H2,1-2H3,(H2,13,15,16)
InChIKeySVWPMTHEBCVJON-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.48
Rot. Bonds5

About 2-[(3-methoxy-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine

2-[(3-methoxy-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine (PubChem CID 23294000) has the molecular formula C12H14N4OS2 and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-[(3-methoxy-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-methoxy-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
PubChem CID23294000
Molecular FormulaC12H14N4OS2
Molecular Weight294.41 g/mol
Exact Mass294.06
IUPAC Name2-[(3-methoxy-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
SMILESCOc1cccnc1CSc1nc(N)cc(SC)n1
InChIInChI=1S/C12H14N4OS2/c1-17-9-4-3-5-14-8(9)7-19-12-15-10(13)6-11(16-12)18-2/h3-6H,7H2,1-2H3,(H2,13,15,16)
InChIKeySVWPMTHEBCVJON-UHFFFAOYSA-N
XLogP2.48
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(3-methoxy-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine with MolForge

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Related Compounds

2-[(3-cyclopropyl-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 23293893
4-[3-[(4-amino-6-methylsulfanylpyrimidin-2-yl)sulfanylmethyl]-2-pyridinyl]benzenethiol
CID 135984128
2-[(2,6-difluorophenyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 23293839
2-[(4,6-diaminopyrimidin-2-yl)sulfanylmethyl]pyridine-3-carboxylic acid
CID 114198323
2-[(4-tert-butylphenyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 23294002
6-methylsulfanyl-2-[(3-nitrophenyl)methylsulfanyl]pyrimidin-4-amine
CID 23293852
2-[[4-(2-methylpropyl)-2-pyridinyl]methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 54363248
ethane;2-ethyl-3-methoxypyridine
CID 144504427
(3-methoxy-2-pyridinyl)methanamine
CID 45079526
2-(1,3-benzoxazol-2-ylmethylsulfanyl)-6-methylsulfanylpyrimidin-4-amine
CID 54160486
2-[2-(2-methoxyphenoxy)ethylsulfanyl]pyrimidine-4,6-diamine
CID 3142408
6-chloro-2-[(3-pentyl-2-pyridinyl)methylsulfanyl]pyrimidin-4-amine
CID 19610676

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-[(3-methoxy-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine (CID 23294000) is 2-[(3-methoxy-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-methoxy-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-methoxy-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine is COc1cccnc1CSc1nc(N)cc(SC)n1.
What is the InChIKey of 2-[(3-methoxy-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is SVWPMTHEBCVJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS2/c1-17-9-4-3-5-14-8(9)7-19-12-15-10(13)6-11(16-12)18-2/h3-6H,7H2,1-2H3,(H2,13,15,16).
What are the key properties of 2-[(3-methoxy-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine?
2-[(3-methoxy-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 294.41 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-2-pyridinyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 23294000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).