4-(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile

C24H25N7O2S — CID 178013023

IUPAC4-(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile
SMILESCc1nc(C2CCNCC2)sc1-c1nc(Nc2ccc(N3CCOCC3=O)cc2)ncc1C#N
InChIInChI=1S/C24H25N7O2S/c1-15-22(34-23(28-15)16-6-8-26-9-7-16)21-17(12-25)13-27-24(30-21)29-18-2-4-19(5-3-18)31-10-11-33-14-20(31)32/h2-5,13,16,26H,6-11,14H2,1H3,(H,27,29,30)
InChIKeySSDWFVJMTWVEAJ-UHFFFAOYSA-N
MW475.58 g/mol
LogP3.35
Rot. Bonds5

About 4-(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile

4-(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile (PubChem CID 178013023) has the molecular formula C24H25N7O2S and a molecular weight of 475.58 g/mol. Its IUPAC name is 4-(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile
PubChem CID178013023
Molecular FormulaC24H25N7O2S
Molecular Weight475.58 g/mol
Exact Mass475.18
IUPAC Name4-(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile
SMILESCc1nc(C2CCNCC2)sc1-c1nc(Nc2ccc(N3CCOCC3=O)cc2)ncc1C#N
InChIInChI=1S/C24H25N7O2S/c1-15-22(34-23(28-15)16-6-8-26-9-7-16)21-17(12-25)13-27-24(30-21)29-18-2-4-19(5-3-18)31-10-11-33-14-20(31)32/h2-5,13,16,26H,6-11,14H2,1H3,(H,27,29,30)
InChIKeySSDWFVJMTWVEAJ-UHFFFAOYSA-N
XLogP3.35
TPSA116.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

4-(3-methyl-1-piperidin-4-ylpyrazol-4-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile
CID 178013074
4-[4-[[5-chloro-4-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]morpholin-3-one
CID 178013183
4-[5-chloro-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidin-4-yl]-N-(cyanomethyl)benzamide
CID 170790883
2-(4-morpholin-4-ylanilino)-4-pyridin-3-ylpyrimidine-5-carbonitrile
CID 18517025
4-[4-[[5-chloro-4-(5-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3-methylphenyl]morpholin-3-one
CID 178013140
3-chloro-4-[4-[2-[4-(3-oxomorpholin-4-yl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]imidazol-1-yl]benzonitrile
CID 178013097
8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]-6-(5-methyl-2-piperidin-4-yl-1,3-thiazol-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 70934138
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282
3-chloro-4-[4-[5-chloro-2-[4-[(4S)-4-morpholin-4-yl-2-oxopiperidin-1-yl]anilino]pyrimidin-4-yl]pyrazol-1-yl]benzonitrile
CID 178013160
2-amino-5-(3-oxomorpholin-4-yl)pyridine-3-carbonitrile
CID 91756494
1-methyl-2-[4-(3-oxomorpholin-4-yl)phenyl]imidazole-4-carbonitrile
CID 69238133
4-[4-[[5-chloro-4-(3-chloro-1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2-fluorophenyl]morpholin-3-one
CID 178013180

Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile (CID 178013023) is 4-(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile is Cc1nc(C2CCNCC2)sc1-c1nc(Nc2ccc(N3CCOCC3=O)cc2)ncc1C#N.
What is the InChIKey of 4-(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile?
The InChIKey is SSDWFVJMTWVEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2S/c1-15-22(34-23(28-15)16-6-8-26-9-7-16)21-17(12-25)13-27-24(30-21)29-18-2-4-19(5-3-18)31-10-11-33-14-20(31)32/h2-5,13,16,26H,6-11,14H2,1H3,(H,27,29,30).
What are the key properties of 4-(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile?
4-(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile has a molecular weight of 475.58 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-2-piperidin-4-yl-1,3-thiazol-5-yl)-2-[4-(3-oxomorpholin-4-yl)anilino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 178013023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).