[2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-1,3-thiazol-4-yl]-piperazin-1-ylmethanone

C22H22N10OS — CID 166036082

IUPAC[2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
SMILESCc1cccc(-c2nccc(Nc3ccnc(Nc4nc(C(=O)N5CCNCC5)cs4)n3)n2)n1
InChIInChI=1S/C22H22N10OS/c1-14-3-2-4-15(26-14)19-24-7-5-17(29-19)28-18-6-8-25-21(30-18)31-22-27-16(13-34-22)20(33)32-11-9-23-10-12-32/h2-8,13,23H,9-12H2,1H3,(H2,24,25,27,28,29,30,31)
InChIKeyULXYZIXTYSGIIO-UHFFFAOYSA-N
MW474.55 g/mol
LogP2.63
Rot. Bonds6

About [2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-1,3-thiazol-4-yl]-piperazin-1-ylmethanone

[2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-1,3-thiazol-4-yl]-piperazin-1-ylmethanone (PubChem CID 166036082) has the molecular formula C22H22N10OS and a molecular weight of 474.55 g/mol. Its IUPAC name is [2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-1,3-thiazol-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
PubChem CID166036082
Molecular FormulaC22H22N10OS
Molecular Weight474.55 g/mol
Exact Mass474.17
IUPAC Name[2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
SMILESCc1cccc(-c2nccc(Nc3ccnc(Nc4nc(C(=O)N5CCNCC5)cs4)n3)n2)n1
InChIInChI=1S/C22H22N10OS/c1-14-3-2-4-15(26-14)19-24-7-5-17(29-19)28-18-6-8-25-21(30-18)31-22-27-16(13-34-22)20(33)32-11-9-23-10-12-32/h2-8,13,23H,9-12H2,1H3,(H2,24,25,27,28,29,30,31)
InChIKeyULXYZIXTYSGIIO-UHFFFAOYSA-N
XLogP2.63
TPSA133.74 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.55
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze [2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-1,3-thiazol-4-yl]-piperazin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

N-(azetidin-3-ylmethyl)-2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-1,3-thiazole-4-carboxamide
CID 166036013
4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-[5-(piperazin-1-ylmethyl)thiophen-3-yl]pyrimidine-2,4-diamine
CID 166035922
2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-1,3-thiazole-5-carboxylic acid
CID 166035830
[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 166035773
[3-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 166035746
2-piperazin-1-ylethyl 6-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]pyridine-3-carboxylate
CID 166035878
4-N-[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]-2-N-(4-piperidin-4-ylphenyl)pyrimidine-2,4-diamine
CID 166035896
azetidin-3-yl 2-[5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-2-piperazin-1-ylphenyl]acetate
CID 166035551
piperidin-4-yl 1-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]phenyl]piperidine-4-carboxylate
CID 166035833
methyl 2-[1-[4-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]phenyl]piperazin-2-yl]acetate
CID 166035589
azetidin-3-ylmethyl 5-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]thiophene-3-carboxylate
CID 166035573
[2-(methylamino)-1,3-thiazol-4-yl]-piperazin-1-ylmethanone
CID 82509879

Frequently Asked Questions

What is the IUPAC name of [2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-1,3-thiazol-4-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-1,3-thiazol-4-yl]-piperazin-1-ylmethanone (CID 166036082) is [2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-1,3-thiazol-4-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-1,3-thiazol-4-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-1,3-thiazol-4-yl]-piperazin-1-ylmethanone is Cc1cccc(-c2nccc(Nc3ccnc(Nc4nc(C(=O)N5CCNCC5)cs4)n3)n2)n1.
What is the InChIKey of [2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-1,3-thiazol-4-yl]-piperazin-1-ylmethanone?
The InChIKey is ULXYZIXTYSGIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N10OS/c1-14-3-2-4-15(26-14)19-24-7-5-17(29-19)28-18-6-8-25-21(30-18)31-22-27-16(13-34-22)20(33)32-11-9-23-10-12-32/h2-8,13,23H,9-12H2,1H3,(H2,24,25,27,28,29,30,31).
What are the key properties of [2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-1,3-thiazol-4-yl]-piperazin-1-ylmethanone?
[2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-1,3-thiazol-4-yl]-piperazin-1-ylmethanone has a molecular weight of 474.55 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-[[2-(6-methyl-2-pyridinyl)pyrimidin-4-yl]amino]pyrimidin-2-yl]amino]-1,3-thiazol-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 166036082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).