5-chloro-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide

C18H22ClN5O2S — CID 42961619

IUPAC5-chloro-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)NCc2ccc(N3CC(C)OC(C)C3)nc2)n1
InChIInChI=1S/C18H22ClN5O2S/c1-11-9-24(10-12(2)26-11)15-5-4-13(6-20-15)7-21-17(25)16-14(19)8-22-18(23-16)27-3/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,21,25)
InChIKeyZNFQBHTYDQUPMQ-UHFFFAOYSA-N
MW407.93 g/mol
LogP2.79
Rot. Bonds5

About 5-chloro-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide

5-chloro-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide (PubChem CID 42961619) has the molecular formula C18H22ClN5O2S and a molecular weight of 407.93 g/mol. Its IUPAC name is 5-chloro-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide
PubChem CID42961619
Molecular FormulaC18H22ClN5O2S
Molecular Weight407.93 g/mol
Exact Mass407.12
IUPAC Name5-chloro-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)NCc2ccc(N3CC(C)OC(C)C3)nc2)n1
InChIInChI=1S/C18H22ClN5O2S/c1-11-9-24(10-12(2)26-11)15-5-4-13(6-20-15)7-21-17(25)16-14(19)8-22-18(23-16)27-3/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,21,25)
InChIKeyZNFQBHTYDQUPMQ-UHFFFAOYSA-N
XLogP2.79
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.93
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide with MolForge

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Related Compounds

5-chloro-N-[[4-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 51940380
4-tert-butyl-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]benzamide
CID 55710371
5-chloro-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 46473976
3-(2-chlorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 78888831
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
CID 2980599
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-methylsulfonylbenzamide
CID 55709939
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 46487125
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 86974516
4-bromo-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide
CID 46487103
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 55710045
2-(cyclopropylmethylamino)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]acetamide
CID 119846444
3-(2,4-difluorophenyl)-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-1-methylpyrazole-4-carboxamide
CID 86948170

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide (CID 42961619) is 5-chloro-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide is CSc1ncc(Cl)c(C(=O)NCc2ccc(N3CC(C)OC(C)C3)nc2)n1.
What is the InChIKey of 5-chloro-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide?
The InChIKey is ZNFQBHTYDQUPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2S/c1-11-9-24(10-12(2)26-11)15-5-4-13(6-20-15)7-21-17(25)16-14(19)8-22-18(23-16)27-3/h4-6,8,11-12H,7,9-10H2,1-3H3,(H,21,25).
What are the key properties of 5-chloro-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide?
5-chloro-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide has a molecular weight of 407.93 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylsulfanylpyrimidine-4-carboxamide is sourced from PubChem (CID 42961619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).