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

C19H23N7S2 — CID 135286568

IUPAC4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCSc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C)CC4)cn3)n2)s1
InChIInChI=1S/C19H23N7S2/c1-13-17(28-19(22-13)27-3)15-6-7-20-18(23-15)24-16-5-4-14(12-21-16)26-10-8-25(2)9-11-26/h4-7,12H,8-11H2,1-3H3,(H,20,21,23,24)
InChIKeyXPFWMXBBOPTXLS-UHFFFAOYSA-N
MW413.58 g/mol
LogP3.52
Rot. Bonds5

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

4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 135286568) has the molecular formula C19H23N7S2 and a molecular weight of 413.58 g/mol. Its IUPAC name is 4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID135286568
Molecular FormulaC19H23N7S2
Molecular Weight413.58 g/mol
Exact Mass413.15
IUPAC Name4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
SMILESCSc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C)CC4)cn3)n2)s1
InChIInChI=1S/C19H23N7S2/c1-13-17(28-19(22-13)27-3)15-6-7-20-18(23-15)24-16-5-4-14(12-21-16)26-10-8-25(2)9-11-26/h4-7,12H,8-11H2,1-3H3,(H,20,21,23,24)
InChIKeyXPFWMXBBOPTXLS-UHFFFAOYSA-N
XLogP3.52
TPSA70.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.58
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N,N,4-trimethyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 126559115
5-N-(2-aminoethyl)-5-N-ethyl-2-N-[4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)pyrimidin-2-yl]pyridine-2,5-diamine
CID 155104867
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]thieno[3,2-d]pyrimidin-2-amine
CID 151602434
4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-1-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-2H-pyrimidin-2-ol
CID 175123844
4-[(2S)-2-methyl-5-methylidenepiperazin-1-yl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
CID 159095598
3-cyclopentyl-4-methyl-5-[2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1,3-thiazol-2-one
CID 135286405
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-piperazin-1-ylphenyl)pyrimidin-2-amine
CID 10090332
2,5,9-trimethyl-13-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
CID 162515951
4-(5-ethyl-3-methylidene-2H-pyrrol-1-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine
CID 158478329
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine
CID 142567302
4-[6-[[4-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carbaldehyde
CID 155572981
(5S)-5-methyl-4-[2-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-2-oxopiperazine-1-carboxylic acid
CID 138595666

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine (CID 135286568) is 4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine is CSc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C)CC4)cn3)n2)s1.
What is the InChIKey of 4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is XPFWMXBBOPTXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7S2/c1-13-17(28-19(22-13)27-3)15-6-7-20-18(23-15)24-16-5-4-14(12-21-16)26-10-8-25(2)9-11-26/h4-7,12H,8-11H2,1-3H3,(H,20,21,23,24).
What are the key properties of 4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine?
4-(4-methyl-2-methylsulfanyl-1,3-thiazol-5-yl)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 413.58 g/mol, XLogP of 3.52, 5 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)-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 135286568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).