4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2H-pyrimidin-2-ol

C19H24N6OS2 — CID 175123844

IUPAC4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2H-pyrimidin-2-ol
SMILESCSc1nc(C)c(C2=NC(O)N(c3ccc(N4CCN(C)CC4)cn3)C=C2)s1
InChIInChI=1S/C19H24N6OS2/c1-13-17(28-19(21-13)27-3)15-6-7-25(18(26)22-15)16-5-4-14(12-20-16)24-10-8-23(2)9-11-24/h4-7,12,18,26H,8-11H2,1-3H3
InChIKeyKOGAEYCXHOEIOV-UHFFFAOYSA-N
MW416.58 g/mol
LogP2.42
Rot. Bonds4

About 4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2H-pyrimidin-2-ol

4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2H-pyrimidin-2-ol (PubChem CID 175123844) has the molecular formula C19H24N6OS2 and a molecular weight of 416.58 g/mol. Its IUPAC name is 4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2H-pyrimidin-2-ol.

Molecular Properties

Compound Name4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2H-pyrimidin-2-ol
PubChem CID175123844
Molecular FormulaC19H24N6OS2
Molecular Weight416.58 g/mol
Exact Mass416.15
IUPAC Name4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2H-pyrimidin-2-ol
SMILESCSc1nc(C)c(C2=NC(O)N(c3ccc(N4CCN(C)CC4)cn3)C=C2)s1
InChIInChI=1S/C19H24N6OS2/c1-13-17(28-19(21-13)27-3)15-6-7-25(18(26)22-15)16-5-4-14(12-20-16)24-10-8-23(2)9-11-24/h4-7,12,18,26H,8-11H2,1-3H3
InChIKeyKOGAEYCXHOEIOV-UHFFFAOYSA-N
XLogP2.42
TPSA68.09 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.58
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
CID 135286568
1-(6-chloro-3-pyridinyl)-4-methylpiperazine
CID 75355748
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine
CID 142567302
1-(6-butan-2-yl-3-pyridinyl)-4-methylpiperazine
CID 139538940
2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 86992589
5-(4-methylpiperazin-1-yl)-N-propan-2-ylpyridin-2-amine
CID 90810476
2-fluoro-4-[3-formyl-2-methyl-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-3H-pyrazol-5-yl]benzonitrile
CID 171818027
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109154538
2,5-di(piperidin-1-yl)pyridine
CID 56695292
5-(4-methyl-1,4-diazepan-1-yl)pyridine-2-carbothioamide
CID 113320771
2-methyl-5-(4-methylsulfanylpiperidin-1-yl)pyridine
CID 123718410
[1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672926

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2H-pyrimidin-2-ol?
The IUPAC name of 4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2H-pyrimidin-2-ol (CID 175123844) is 4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2H-pyrimidin-2-ol.
What is the SMILES notation for 4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2H-pyrimidin-2-ol?
The canonical SMILES for 4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2H-pyrimidin-2-ol is CSc1nc(C)c(C2=NC(O)N(c3ccc(N4CCN(C)CC4)cn3)C=C2)s1.
What is the InChIKey of 4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2H-pyrimidin-2-ol?
The InChIKey is KOGAEYCXHOEIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6OS2/c1-13-17(28-19(21-13)27-3)15-6-7-25(18(26)22-15)16-5-4-14(12-20-16)24-10-8-23(2)9-11-24/h4-7,12,18,26H,8-11H2,1-3H3.
What are the key properties of 4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2H-pyrimidin-2-ol?
4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2H-pyrimidin-2-ol has a molecular weight of 416.58 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2H-pyrimidin-2-ol is sourced from PubChem (CID 175123844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).