5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine

C24H29N9S2 — CID 59295346

IUPAC5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2cnc(Nc3cnc(CNCc4csc(C)n4)cn3)s2)nc(NC2CCCCC2)n1
InChIInChI=1S/C24H29N9S2/c1-15-8-20(32-23(29-15)31-17-6-4-3-5-7-17)21-12-28-24(35-21)33-22-13-26-18(11-27-22)9-25-10-19-14-34-16(2)30-19/h8,11-14,17,25H,3-7,9-10H2,1-2H3,(H,27,28,33)(H,29,31,32)
InChIKeyJUIHVVWSZGOQCK-UHFFFAOYSA-N
MW507.69 g/mol
LogP5.24
Rot. Bonds9

About 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine

5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 59295346) has the molecular formula C24H29N9S2 and a molecular weight of 507.69 g/mol. Its IUPAC name is 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine
PubChem CID59295346
Molecular FormulaC24H29N9S2
Molecular Weight507.69 g/mol
Exact Mass507.20
IUPAC Name5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2cnc(Nc3cnc(CNCc4csc(C)n4)cn3)s2)nc(NC2CCCCC2)n1
InChIInChI=1S/C24H29N9S2/c1-15-8-20(32-23(29-15)31-17-6-4-3-5-7-17)21-12-28-24(35-21)33-22-13-26-18(11-27-22)9-25-10-19-14-34-16(2)30-19/h8,11-14,17,25H,3-7,9-10H2,1-2H3,(H,27,28,33)(H,29,31,32)
InChIKeyJUIHVVWSZGOQCK-UHFFFAOYSA-N
XLogP5.24
TPSA113.43 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500507.69
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine (CID 59295346) is 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine is Cc1cc(-c2cnc(Nc3cnc(CNCc4csc(C)n4)cn3)s2)nc(NC2CCCCC2)n1.
What is the InChIKey of 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is JUIHVVWSZGOQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N9S2/c1-15-8-20(32-23(29-15)31-17-6-4-3-5-7-17)21-12-28-24(35-21)33-22-13-26-18(11-27-22)9-25-10-19-14-34-16(2)30-19/h8,11-14,17,25H,3-7,9-10H2,1-2H3,(H,27,28,33)(H,29,31,32).
What are the key properties of 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine?
5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 507.69 g/mol, XLogP of 5.24, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 59295346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).