4-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine

C26H31N5O4 — CID 67511535

IUPAC4-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
SMILESCc1c(Oc2ccc(C3COC(C)(C)OC3)cc2)ncnc1OC1CCN(c2ncccn2)CC1
InChIInChI=1S/C26H31N5O4/c1-18-23(34-21-7-5-19(6-8-21)20-15-32-26(2,3)33-16-20)29-17-30-24(18)35-22-9-13-31(14-10-22)25-27-11-4-12-28-25/h4-8,11-12,17,20,22H,9-10,13-16H2,1-3H3
InChIKeyAGIFVLYCLBVMBX-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.28
Rot. Bonds6

About 4-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine

4-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine (PubChem CID 67511535) has the molecular formula C26H31N5O4 and a molecular weight of 477.57 g/mol. Its IUPAC name is 4-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine.

Molecular Properties

Compound Name4-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
PubChem CID67511535
Molecular FormulaC26H31N5O4
Molecular Weight477.57 g/mol
Exact Mass477.24
IUPAC Name4-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
SMILESCc1c(Oc2ccc(C3COC(C)(C)OC3)cc2)ncnc1OC1CCN(c2ncccn2)CC1
InChIInChI=1S/C26H31N5O4/c1-18-23(34-21-7-5-19(6-8-21)20-15-32-26(2,3)33-16-20)29-17-30-24(18)35-22-9-13-31(14-10-22)25-27-11-4-12-28-25/h4-8,11-12,17,20,22H,9-10,13-16H2,1-3H3
InChIKeyAGIFVLYCLBVMBX-UHFFFAOYSA-N
XLogP4.28
TPSA91.72 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine with MolForge

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Related Compounds

4-(1-benzylpiperidin-4-yl)oxy-6-[4-(1,3,2-dioxathian-5-yl)phenoxy]-5-methylpyrimidine
CID 91239520
4-chloro-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
CID 86665163
4-(1,3,2-dioxathian-5-yl)-2-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]phenol
CID 136601990
1-(4-methoxyphenyl)-N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxyethanimine
CID 87578363
N-[5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidin-4-yl]oxy-1-thiophen-2-ylethanimine
CID 87578263
5-methyl-4-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine
CID 154461657
tert-butyl 4-[6-[4-(2,2-dihydroxy-1,3,2-dioxathiolan-4-yl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 67517114
2-[4-[4-(1-benzofuran-2-yl)phenoxy]piperidin-1-yl]pyrimidine
CID 24732880
4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxybenzenesulfonic acid
CID 87487791
4-(1-benzylpiperidin-4-yl)oxy-6-[2-(1,3,2-dioxathian-5-yl)phenoxy]-5-methylpyrimidine
CID 91498623
2-[4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidin-1-yl]pyrimidine
CID 24732938
3-iodo-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxy-2H-indazole
CID 170414778

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine?
The IUPAC name of 4-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine (CID 67511535) is 4-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine.
What is the SMILES notation for 4-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine?
The canonical SMILES for 4-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine is Cc1c(Oc2ccc(C3COC(C)(C)OC3)cc2)ncnc1OC1CCN(c2ncccn2)CC1.
What is the InChIKey of 4-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine?
The InChIKey is AGIFVLYCLBVMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4/c1-18-23(34-21-7-5-19(6-8-21)20-15-32-26(2,3)33-16-20)29-17-30-24(18)35-22-9-13-31(14-10-22)25-27-11-4-12-28-25/h4-8,11-12,17,20,22H,9-10,13-16H2,1-3H3.
What are the key properties of 4-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine?
4-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine has a molecular weight of 477.57 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,2-dimethyl-1,3-dioxan-5-yl)phenoxy]-5-methyl-6-(1-pyrimidin-2-ylpiperidin-4-yl)oxypyrimidine is sourced from PubChem (CID 67511535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).