4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpyrimidin-2-amine

C26H35N5O2 — CID 10161050

IUPAC4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(Nc2cccc(OCCCN(C)C)c2)nc1-c1c(C2CCCCC2)noc1C
InChIInChI=1S/C26H35N5O2/c1-18-17-27-26(28-21-12-8-13-22(16-21)32-15-9-14-31(3)4)29-24(18)23-19(2)33-30-25(23)20-10-6-5-7-11-20/h8,12-13,16-17,20H,5-7,9-11,14-15H2,1-4H3,(H,27,28,29)
InChIKeyHIYDIMPDLVNJCM-UHFFFAOYSA-N
MW449.60 g/mol
LogP5.87
Rot. Bonds9

About 4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpyrimidin-2-amine

4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpyrimidin-2-amine (PubChem CID 10161050) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is 4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpyrimidin-2-amine
PubChem CID10161050
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC Name4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpyrimidin-2-amine
SMILESCc1cnc(Nc2cccc(OCCCN(C)C)c2)nc1-c1c(C2CCCCC2)noc1C
InChIInChI=1S/C26H35N5O2/c1-18-17-27-26(28-21-12-8-13-22(16-21)32-15-9-14-31(3)4)29-24(18)23-19(2)33-30-25(23)20-10-6-5-7-11-20/h8,12-13,16-17,20H,5-7,9-11,14-15H2,1-4H3,(H,27,28,29)
InChIKeyHIYDIMPDLVNJCM-UHFFFAOYSA-N
XLogP5.87
TPSA76.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-N-[3-[3-(2-methoxyethylamino)propoxy]phenyl]-5-methylpyrimidin-2-amine
CID 10299430
2-[3-[3-[[4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-5-ethylpyrimidin-2-yl]amino]phenoxy]propylamino]ethanol
CID 10116652
2-[3-[[4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-5-(hydroxymethyl)pyrimidin-2-yl]amino]phenoxy]ethyl acetate
CID 10115878
2-(2-acetamidoethoxy)-N-[3-[[4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 10207552
2-[4-[3-[3-[[4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)pyrimidin-2-yl]amino]phenoxy]propyl]piperazin-1-yl]ethanol
CID 10208222
5-[2-[3-[3-(dimethylamino)propoxy]anilino]-5-methylpyrimidin-4-yl]-2-methylsulfanyl-4-pyridin-3-ylthiophene-3-carbonitrile;ethane
CID 142179976
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-5-fluoropyrimidine-2,4-diamine
CID 22060728
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
4-N-cyclohexyl-5-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 175747416
4-N-cyclopropyl-2-N-[3-(dimethylamino)phenyl]-5-methylpyrimidine-2,4-diamine
CID 117091195
N-[3-[[2-(3-butoxyanilino)-5-methylpyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 148718366
N-(dicyclopropylmethyl)-3-[2-(dimethylamino)ethoxy]aniline
CID 43720885

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpyrimidin-2-amine?
The IUPAC name of 4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpyrimidin-2-amine (CID 10161050) is 4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpyrimidin-2-amine is Cc1cnc(Nc2cccc(OCCCN(C)C)c2)nc1-c1c(C2CCCCC2)noc1C.
What is the InChIKey of 4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpyrimidin-2-amine?
The InChIKey is HIYDIMPDLVNJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-18-17-27-26(28-21-12-8-13-22(16-21)32-15-9-14-31(3)4)29-24(18)23-19(2)33-30-25(23)20-10-6-5-7-11-20/h8,12-13,16-17,20H,5-7,9-11,14-15H2,1-4H3,(H,27,28,29).
What are the key properties of 4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpyrimidin-2-amine?
4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpyrimidin-2-amine has a molecular weight of 449.60 g/mol, XLogP of 5.87, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexyl-5-methyl-1,2-oxazol-4-yl)-N-[3-[3-(dimethylamino)propoxy]phenyl]-5-methylpyrimidin-2-amine is sourced from PubChem (CID 10161050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).