5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine

C25H30N6O — CID 164533944

IUPAC5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine
SMILESCc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1N1OCC[C@H]1c1ccccc1
InChIInChI=1S/C25H30N6O/c1-19-18-26-25(27-21-8-10-22(11-9-21)30-15-13-29(2)14-16-30)28-24(19)31-23(12-17-32-31)20-6-4-3-5-7-20/h3-11,18,23H,12-17H2,1-2H3,(H,26,27,28)/t23-/m0/s1
InChIKeyPXGOUNBKOWHLLK-QHCPKHFHSA-N
MW430.56 g/mol
LogP4.16
Rot. Bonds5

About 5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine

5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine (PubChem CID 164533944) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine
PubChem CID164533944
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine
SMILESCc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1N1OCC[C@H]1c1ccccc1
InChIInChI=1S/C25H30N6O/c1-19-18-26-25(27-21-8-10-22(11-9-21)30-15-13-29(2)14-16-30)28-24(19)31-23(12-17-32-31)20-6-4-3-5-7-20/h3-11,18,23H,12-17H2,1-2H3,(H,26,27,28)/t23-/m0/s1
InChIKeyPXGOUNBKOWHLLK-QHCPKHFHSA-N
XLogP4.16
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.16
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

5-methyl-N-[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine
CID 164533807
5-chloro-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine
CID 164533760
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(1-methylpyrazol-4-yl)-4-(3-phenyl-1,2-oxazolidin-2-yl)pyrimidin-2-amine
CID 175754235
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-pyridin-3-ylpyrimidin-2-amine
CID 164533844
N-[4-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]phenyl]-4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 175753999
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 155756395
2-methyl-N-[4-(3-phenyl-1,2-oxazolidin-2-yl)-5-(trifluoromethyl)pyrimidin-2-yl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 175753997
4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 164533710
4-imidazol-1-yl-5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
CID 134383458
N-[4-[3-(diethylamino)propoxy]-3,5-dimethylphenyl]-5-methyl-4-(3-phenyl-1,2-oxazolidin-2-yl)pyrimidin-2-amine;hydrochloride
CID 175754165
N-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 164533859
2-[4-[1-[4-[[4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperidin-4-yl]piperazin-1-yl]ethanol
CID 155756411

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine (CID 164533944) is 5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine is Cc1cnc(Nc2ccc(N3CCN(C)CC3)cc2)nc1N1OCC[C@H]1c1ccccc1.
What is the InChIKey of 5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine?
The InChIKey is PXGOUNBKOWHLLK-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H30N6O/c1-19-18-26-25(27-21-8-10-22(11-9-21)30-15-13-29(2)14-16-30)28-24(19)31-23(12-17-32-31)20-6-4-3-5-7-20/h3-11,18,23H,12-17H2,1-2H3,(H,26,27,28)/t23-/m0/s1.
What are the key properties of 5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine?
5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine has a molecular weight of 430.56 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-[(3S)-3-phenyl-1,2-oxazolidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 164533944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).