N-(2-methyl-4-morpholin-4-ylphenyl)-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine

C24H27N5O2 — CID 166135255

IUPACN-(2-methyl-4-morpholin-4-ylphenyl)-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine
SMILESCc1cc(N2CCOCC2)ccc1Nc1cc(N2OCC[C@@H]2c2ccccc2)ncn1
InChIInChI=1S/C24H27N5O2/c1-18-15-20(28-10-13-30-14-11-28)7-8-21(18)27-23-16-24(26-17-25-23)29-22(9-12-31-29)19-5-3-2-4-6-19/h2-8,15-17,22H,9-14H2,1H3,(H,25,26,27)/t22-/m1/s1
InChIKeyKELUXKJOKUKGSY-JOCHJYFZSA-N
MW417.51 g/mol
LogP4.25
Rot. Bonds5

About N-(2-methyl-4-morpholin-4-ylphenyl)-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine

N-(2-methyl-4-morpholin-4-ylphenyl)-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine (PubChem CID 166135255) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-(2-methyl-4-morpholin-4-ylphenyl)-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methyl-4-morpholin-4-ylphenyl)-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine
PubChem CID166135255
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-(2-methyl-4-morpholin-4-ylphenyl)-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine
SMILESCc1cc(N2CCOCC2)ccc1Nc1cc(N2OCC[C@@H]2c2ccccc2)ncn1
InChIInChI=1S/C24H27N5O2/c1-18-15-20(28-10-13-30-14-11-28)7-8-21(18)27-23-16-24(26-17-25-23)29-22(9-12-31-29)19-5-3-2-4-6-19/h2-8,15-17,22H,9-14H2,1H3,(H,25,26,27)/t22-/m1/s1
InChIKeyKELUXKJOKUKGSY-JOCHJYFZSA-N
XLogP4.25
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-6-(3-phenyl-1,2-oxazolidin-2-yl)pyrimidin-4-amine
CID 170673343
N-[4-[4-[(1R,4R)-5-ethyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]-2-methoxyphenyl]-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine
CID 166135234
N-[2-methoxy-5-methyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine
CID 166135302
N-(4-fluoro-2-methoxy-5-nitrophenyl)-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine
CID 155128277
6-[(3S)-3-[3-(difluoromethyl)phenyl]-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine
CID 166135249
6-[(3R)-3-(4-fluorophenyl)-1,2-oxazolidin-2-yl]-N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]pyrimidin-4-amine
CID 166135360
N-[4-methoxy-2-[4-[4-(oxan-4-yl)piperazin-1-yl]piperidin-1-yl]-5-[[6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 155136964
2-(6-chloropyrimidin-4-yl)-3-phenyl-1,2-oxazolidine
CID 155128115
N-[4-(4-methylpiperazin-1-yl)-3-(2,2,2-trifluoroethoxy)phenyl]-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine
CID 166135340
N-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-6-(3-naphthalen-1-yl-1,2-oxazolidin-2-yl)pyrimidin-4-amine
CID 170673328
3-fluoro-5-[(3R)-2-[6-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]pyrimidin-4-yl]-1,2-oxazolidin-3-yl]benzonitrile
CID 166135391
N-[3-ethyl-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine
CID 166135395

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-morpholin-4-ylphenyl)-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine?
The IUPAC name of N-(2-methyl-4-morpholin-4-ylphenyl)-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine (CID 166135255) is N-(2-methyl-4-morpholin-4-ylphenyl)-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for N-(2-methyl-4-morpholin-4-ylphenyl)-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine?
The canonical SMILES for N-(2-methyl-4-morpholin-4-ylphenyl)-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine is Cc1cc(N2CCOCC2)ccc1Nc1cc(N2OCC[C@@H]2c2ccccc2)ncn1.
What is the InChIKey of N-(2-methyl-4-morpholin-4-ylphenyl)-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine?
The InChIKey is KELUXKJOKUKGSY-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-18-15-20(28-10-13-30-14-11-28)7-8-21(18)27-23-16-24(26-17-25-23)29-22(9-12-31-29)19-5-3-2-4-6-19/h2-8,15-17,22H,9-14H2,1H3,(H,25,26,27)/t22-/m1/s1.
What are the key properties of N-(2-methyl-4-morpholin-4-ylphenyl)-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine?
N-(2-methyl-4-morpholin-4-ylphenyl)-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine has a molecular weight of 417.51 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-morpholin-4-ylphenyl)-6-[(3R)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 166135255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).