N-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide

C22H30N6O2 — CID 117082534

IUPACN-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(N3CCC(N4CCOCC4)CC3)ncc2C)cc1
InChIInChI=1S/C22H30N6O2/c1-16-15-23-22(28-9-7-20(8-10-28)27-11-13-30-14-12-27)26-21(16)25-19-5-3-18(4-6-19)24-17(2)29/h3-6,15,20H,7-14H2,1-2H3,(H,24,29)(H,23,25,26)
InChIKeyLSNSMEWMBCXJFO-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.79
Rot. Bonds5

About N-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide

N-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 117082534) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID117082534
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC NameN-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2nc(N3CCC(N4CCOCC4)CC3)ncc2C)cc1
InChIInChI=1S/C22H30N6O2/c1-16-15-23-22(28-9-7-20(8-10-28)27-11-13-30-14-12-27)26-21(16)25-19-5-3-18(4-6-19)24-17(2)29/h3-6,15,20H,7-14H2,1-2H3,(H,24,29)(H,23,25,26)
InChIKeyLSNSMEWMBCXJFO-UHFFFAOYSA-N
XLogP2.79
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide with MolForge

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Related Compounds

N-[4-[(5-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 117080779
5-methyl-N-(4-morpholin-4-ylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 117081943
N-[4-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 117083810
2-(4-morpholin-4-ylpiperidin-1-yl)-N-phenyl-7H-purin-6-amine
CID 117079282
N-[4-[[9-cyclohexyl-2-(4-morpholin-4-ylanilino)purin-6-yl]amino]phenyl]acetamide
CID 117086882
N-(4-acetylphenyl)-4-[5-methyl-2-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]piperazine-1-carboxamide
CID 171559336
N-[4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]phenyl]acetamide
CID 7192885
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
1-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 175051418
4-methyl-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 66504104
2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-amine
CID 117078995
4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 53336252

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide (CID 117082534) is N-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2nc(N3CCC(N4CCOCC4)CC3)ncc2C)cc1.
What is the InChIKey of N-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is LSNSMEWMBCXJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-16-15-23-22(28-9-7-20(8-10-28)27-11-13-30-14-12-27)26-21(16)25-19-5-3-18(4-6-19)24-17(2)29/h3-6,15,20H,7-14H2,1-2H3,(H,24,29)(H,23,25,26).
What are the key properties of N-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 410.52 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-methyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 117082534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).