4-[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine

C26H34N4O3 — CID 66996374

IUPAC4-[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
SMILESCc1nc(COc2nc(NC3CCC(C)CC3)ncc2-c2ccc(OC(C)C)cc2)c(C)o1
InChIInChI=1S/C26H34N4O3/c1-16(2)32-22-12-8-20(9-13-22)23-14-27-26(29-21-10-6-17(3)7-11-21)30-25(23)31-15-24-18(4)33-19(5)28-24/h8-9,12-14,16-17,21H,6-7,10-11,15H2,1-5H3,(H,27,29,30)
InChIKeyCDJPBEAHCSSWAE-UHFFFAOYSA-N
MW450.58 g/mol
LogP6.11
Rot. Bonds8

About 4-[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine

4-[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine (PubChem CID 66996374) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 4-[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
PubChem CID66996374
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name4-[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
SMILESCc1nc(COc2nc(NC3CCC(C)CC3)ncc2-c2ccc(OC(C)C)cc2)c(C)o1
InChIInChI=1S/C26H34N4O3/c1-16(2)32-22-12-8-20(9-13-22)23-14-27-26(29-21-10-6-17(3)7-11-21)30-25(23)31-15-24-18(4)33-19(5)28-24/h8-9,12-14,16-17,21H,6-7,10-11,15H2,1-5H3,(H,27,29,30)
InChIKeyCDJPBEAHCSSWAE-UHFFFAOYSA-N
XLogP6.11
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 46240185
4-cyclobutyloxy-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 66995787
N-(4-methylcyclohexyl)-4-[(3R)-oxolan-3-yl]oxy-5-[4-[(3R)-oxolan-3-yl]oxyphenyl]pyrimidin-2-amine
CID 71108024
2-[4-[4-methoxy-2-[(4-methylcyclohexyl)amino]pyrimidin-5-yl]phenoxy]acetonitrile
CID 66995786
5-[4-(difluoromethoxy)phenyl]-N-(4-methylcyclohexyl)-4-morpholin-4-ylpyrimidin-2-amine
CID 46239582
N-(4-methylcyclohexyl)-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-4-[(3R)-oxolan-3-yl]oxypyrimidin-2-amine
CID 50899813
2-[4-[2-[(4-methylcyclohexyl)amino]-4-(oxolan-3-ylmethoxy)pyrimidin-5-yl]phenoxy]acetonitrile
CID 66996377
2-[4-[2-[(4-methylcyclohexyl)amino]-4-(oxolan-3-yloxy)pyrimidin-5-yl]phenoxy]acetonitrile
CID 46239679
N-(4-methylcyclohexyl)-5-(4-morpholin-4-ylphenyl)-4-(piperidin-4-ylmethoxy)pyrimidin-2-amine
CID 71108050
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methylcyclohexyl)-4-(oxolan-2-ylmethoxy)pyrimidin-2-amine
CID 66995811
5-(4-cyclobutyloxyphenyl)-N-(4-methylcyclohexyl)pyrimidin-2-amine
CID 46239078
N-(4-methylcyclohexyl)-5-[4-(2,2,2-trifluoroethoxy)phenyl]pyrimidin-2-amine
CID 46239184

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine (CID 66996374) is 4-[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine is Cc1nc(COc2nc(NC3CCC(C)CC3)ncc2-c2ccc(OC(C)C)cc2)c(C)o1.
What is the InChIKey of 4-[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
The InChIKey is CDJPBEAHCSSWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c1-16(2)32-22-12-8-20(9-13-22)23-14-27-26(29-21-10-6-17(3)7-11-21)30-25(23)31-15-24-18(4)33-19(5)28-24/h8-9,12-14,16-17,21H,6-7,10-11,15H2,1-5H3,(H,27,29,30).
What are the key properties of 4-[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine?
4-[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine has a molecular weight of 450.58 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethyl-1,3-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)-5-(4-propan-2-yloxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 66996374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).