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

C25H31N9S2 — CID 59295303

IUPAC5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2cnc(Nc3cnc(CN(C)Cc4nc(C)cs4)cn3)s2)nc(NC2CCCCC2)n1
InChIInChI=1S/C25H31N9S2/c1-16-9-20(32-24(30-16)31-18-7-5-4-6-8-18)21-11-28-25(36-21)33-22-12-26-19(10-27-22)13-34(3)14-23-29-17(2)15-35-23/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,27,28,33)(H,30,31,32)
InChIKeyUDQUWHKSTAUACG-UHFFFAOYSA-N
MW521.72 g/mol
LogP5.58
Rot. Bonds9

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

5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine (PubChem CID 59295303) has the molecular formula C25H31N9S2 and a molecular weight of 521.72 g/mol. Its IUPAC name is 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine
PubChem CID59295303
Molecular FormulaC25H31N9S2
Molecular Weight521.72 g/mol
Exact Mass521.21
IUPAC Name5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2cnc(Nc3cnc(CN(C)Cc4nc(C)cs4)cn3)s2)nc(NC2CCCCC2)n1
InChIInChI=1S/C25H31N9S2/c1-16-9-20(32-24(30-16)31-18-7-5-4-6-8-18)21-11-28-25(36-21)33-22-12-26-19(10-27-22)13-34(3)14-23-29-17(2)15-35-23/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,27,28,33)(H,30,31,32)
InChIKeyUDQUWHKSTAUACG-UHFFFAOYSA-N
XLogP5.58
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500521.72
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]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-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine (CID 59295303) is 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine is Cc1cc(-c2cnc(Nc3cnc(CN(C)Cc4nc(C)cs4)cn3)s2)nc(NC2CCCCC2)n1.
What is the InChIKey of 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is UDQUWHKSTAUACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N9S2/c1-16-9-20(32-24(30-16)31-18-7-5-4-6-8-18)21-11-28-25(36-21)33-22-12-26-19(10-27-22)13-34(3)14-23-29-17(2)15-35-23/h9-12,15,18H,4-8,13-14H2,1-3H3,(H,27,28,33)(H,30,31,32).
What are the key properties of 5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine?
5-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]-N-[5-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 521.72 g/mol, XLogP of 5.58, 9 rotatable bonds, 2 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-[[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]methyl]pyrazin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 59295303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).