5-bromo-2-(1,4-dioxan-2-yl)-6-phenylpyrimidin-4-amine

C14H14BrN3O2 — CID 66293308

IUPAC5-bromo-2-(1,4-dioxan-2-yl)-6-phenylpyrimidin-4-amine
SMILESNc1nc(C2COCCO2)nc(-c2ccccc2)c1Br
InChIInChI=1S/C14H14BrN3O2/c15-11-12(9-4-2-1-3-5-9)17-14(18-13(11)16)10-8-19-6-7-20-10/h1-5,10H,6-8H2,(H2,16,17,18)
InChIKeyYXNBCNUBTKYJEP-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.58
Rot. Bonds2

About 5-bromo-2-(1,4-dioxan-2-yl)-6-phenylpyrimidin-4-amine

5-bromo-2-(1,4-dioxan-2-yl)-6-phenylpyrimidin-4-amine (PubChem CID 66293308) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 5-bromo-2-(1,4-dioxan-2-yl)-6-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(1,4-dioxan-2-yl)-6-phenylpyrimidin-4-amine
PubChem CID66293308
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name5-bromo-2-(1,4-dioxan-2-yl)-6-phenylpyrimidin-4-amine
SMILESNc1nc(C2COCCO2)nc(-c2ccccc2)c1Br
InChIInChI=1S/C14H14BrN3O2/c15-11-12(9-4-2-1-3-5-9)17-14(18-13(11)16)10-8-19-6-7-20-10/h1-5,10H,6-8H2,(H2,16,17,18)
InChIKeyYXNBCNUBTKYJEP-UHFFFAOYSA-N
XLogP2.58
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,6-bis(1,4-dioxan-2-yl)-2-phenylpyridine
CID 102494673
2-(1,4-dioxan-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
CID 65351630
6-(1,4-dioxan-2-yl)-1,3,5-triazine-2,4-diamine
CID 112681592
2-(1,4-dioxan-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 65351732
2-(1,4-dioxan-2-yl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 65351633
2-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylethanamine
CID 65353018
5-bromo-2-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65353742
5-bromo-2-(2-methyloxan-2-yl)-6-phenylpyrimidin-4-amine
CID 80683733
2-(2-bromophenyl)-1,4,7,10-tetraoxacyclododecane
CID 619658
2-[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]-6-fluoroaniline
CID 114287316
2-[[3-(1,4-dioxan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65353536
5-bromo-4-chloro-2-(1,4-dioxan-2-yl)-6-propan-2-ylpyrimidine
CID 66292604

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1,4-dioxan-2-yl)-6-phenylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(1,4-dioxan-2-yl)-6-phenylpyrimidin-4-amine (CID 66293308) is 5-bromo-2-(1,4-dioxan-2-yl)-6-phenylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(1,4-dioxan-2-yl)-6-phenylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(1,4-dioxan-2-yl)-6-phenylpyrimidin-4-amine is Nc1nc(C2COCCO2)nc(-c2ccccc2)c1Br.
What is the InChIKey of 5-bromo-2-(1,4-dioxan-2-yl)-6-phenylpyrimidin-4-amine?
The InChIKey is YXNBCNUBTKYJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c15-11-12(9-4-2-1-3-5-9)17-14(18-13(11)16)10-8-19-6-7-20-10/h1-5,10H,6-8H2,(H2,16,17,18).
What are the key properties of 5-bromo-2-(1,4-dioxan-2-yl)-6-phenylpyrimidin-4-amine?
5-bromo-2-(1,4-dioxan-2-yl)-6-phenylpyrimidin-4-amine has a molecular weight of 336.19 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1,4-dioxan-2-yl)-6-phenylpyrimidin-4-amine is sourced from PubChem (CID 66293308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).